SCHEMBL182044

SCHEMBL182044

COC(=O)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
MAP2K4 P45985 2/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10242672 0.82 XDH (0.49) RAB9ALMNASMN1; SMN2HPGDMAPT
SCHEMBL7815629 0.82 CDK8 (0.56) KDM4ECA1CA2CA12CA9
SCHEMBL17303477 0.82 RXFP1 (0.44) ALDH1A1KDM4EMAPK1CA1CA2
SCHEMBL1111577 0.80 KDM4E (0.47) ALDH1A1KDM4EMAP2K4RAB9ANPC1
SCHEMBL7831294 0.80 CYP11B2 (0.52) ALDH1A1KDM4EGAA
SCHEMBL25302027 0.79 KDM4E (0.53) ALDH1A1KDM4ECA1CA2RAB9A
SCHEMBL3118446 0.79 LMNA (0.62) ALDH1A1KDM4EMAPK1TDP1MAP2K4
SCHEMBL4789775 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1CA12CA9
SCHEMBL3086806 0.79 MAPK1 (0.48) ALDH1A1MAPK1CA1CA2CA12
SCHEMBL28741942 0.78 METAP2 (0.56) ALDH1A1KDM4EMAPK1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
EP-3442973-B1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2022-08-31 EP disclosed
CN-109476664-B Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same 乐高化学生物科学股份有限公司 2021-08-10 CN disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
WO-2013009791-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 WO disclosed
WO-2013009791-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 WO disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885MAPK1 2942/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885MAPK1 2942/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885MAPK1 2942/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885MAPK1 2942/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 ALDH1A1 4225/4885KDM4E 3034/4885MAPK1 2793/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL ALDH1A1 2509/4885KDM4E 1971/4885MAPK1 2519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.