SCHEMBL751765

SCHEMBL751765

Fc1ccc(Cc2ccc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ IDO1 P14902 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ DBH P09172 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ C3AR1 Q16581 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL1108477 0.80 TAAR1 (0.50) DAOMAOATAAR1HPGD
SCHEMBL11385118 0.79 DAO (0.49) DAOLMNAIDO1DBHMAOA
SCHEMBL28399049 0.79 HRH3 (0.52) IDO1MAOATAAR1ALDH1A1
SCHEMBL27533766 0.79 CYP3A4 (0.52) LMNALOXL2MAOAALDH1A1GAA
SCHEMBL1856737 0.79 TP53 (0.41) MAOATAAR1ALDH1A1
SCHEMBL23528212 0.79 DAO (0.44) DAOIDO1MAOATAAR1C3AR1
SCHEMBL20117722 0.79 DAO (0.53) DAOIDO1DBHTAAR1P2RX7
SCHEMBL28229595 0.79 TAAR1 (0.41) DAOIDO1MAOATAAR1ALDH1A1
Hydrochloric Acid SCHEMBL27287864 0.78 TAAR1 (0.48) DAOMAOATAAR1MAPTHPGD
SCHEMBL27647887 0.78 TAAR1 (0.43) LMNAIDO1TAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939291-B2 GRP94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2024-03-26 — — US disclosed
EP-4269415-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND Modulus Discovery, Inc. (JP) 2023-11-01 — — EP disclosed
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 — — US disclosed
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 — — US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 — — US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 — — US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 — — US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 — — US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 — — US disclosed
WO-2018081814-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS (US) 2018-05-03 — — WO disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 — — CN disclosed
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 — — EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 — — US disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 — — CN disclosed
CN-1178913-C Aromatic heterocycle compounds having HIV integrase inhibiting activities ��Ұ����ҩ��ʽ���� 2004-12-08 — — CN disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 — — US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 — — US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 — — US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 — — CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 — — 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 (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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 DAO 661/4885LMNA 659/4885IDO1 34/4885
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 DAO 4189/4885LMNA 4283/4885IDO1 4602/4885
US-11939291-B2 GRP94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 DAO 4189/4885LMNA 4283/4885IDO1 4602/4885
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 DAO 4189/4885LMNA 4283/4885IDO1 4602/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 DAO 4122/4885LMNA 1150/4885IDO1 3764/4885
US-10975030-B2 Grp94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 DAO 4189/4885LMNA 4283/4885IDO1 4602/4885

“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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