SCHEMBL6804244

SCHEMBL6804244

NC(=O)N(c1[c]cccc1)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.43
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MMP2 P08253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6798623 0.81 CYP3A4 (0.32) ALOX15KDM4ESMN1; SMN2
SCHEMBL6796726 0.81 BCAT2 (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL5994906 0.80 SIGMAR1 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL1416436 0.79 NPSR1 (0.45) ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL6798273 0.78 SIGMAR1 (0.42) PTPN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6438589 0.77 PTPN1 (0.49) PTPN1ALDH1A1ALOX15KDM4ECA12
SCHEMBL6792417 0.75 PLAU (0.38) ALDH1A1KDM4E
SCHEMBL7611518 0.71 AKR1C3 (0.46) PTPN1ALDH1A1ALOX15KDM4E
SCHEMBL7613093 0.71 HTT (0.57) PTPN1ALDH1A1KDM4ECA12CA1
SCHEMBL8502273 0.71 PTPN1 (0.59) PTPN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (1 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 PTPN1 1409/4885ALDH1A1 339/4885ALOX15 1199/4885

“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.