SCHEMBL754535

SCHEMBL754535

Cc1ncc(Oc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ BAX Q07812 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ALKBH1 Q13686 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.39
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL13005381 0.80 LTA4H (0.52) LTA4HHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL20176875 0.80 LTA4H (0.39) LTA4HHTTLMNASMN1; SMN2CYP11B1
SCHEMBL20176877 0.79 LMNA (0.60) LTA4HHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL755812 0.78 MEN1 (0.46) LTA4HHTTALDH1A1L3MBTL1
SCHEMBL4796162 0.78 TEAD4 (0.59) TSHRMAOAALDH1A1SMN1; SMN2TDP1
SCHEMBL509776 0.78 LTA4H (0.50) LTA4HTSHRHTTLMNANR1H2
SCHEMBL4796155 0.78 TEAD4 (0.34) LTA4HTSHRHTTALDH1A1SMN1; SMN2
SCHEMBL19408509 0.77 LTA4H (0.55) LTA4HTSHRHTTNR1H2BAX
SCHEMBL16344897 0.77 LTA4H (0.55) LTA4HTSHRHTTNR1H2BAX
Dimethylamine SCHEMBL2599651 0.75 LTA4H (0.46) LTA4HTSHRHTTNR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 — — US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 — — WO disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 — — EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 — — EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 — — EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 — — EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 — — EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 — — EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 — — EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 — — CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 — — CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 — — CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 — — US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT LTA4H 1960/4885TSHR 4237/4885HTT 4561/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LTA4H 2208/4885TSHR 3427/4885HTT 4541/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 LTA4H 2951/4885TSHR 238/4885HTT 850/4885

“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.

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