SCHEMBL3229701

SCHEMBL3229701

O=C(O)c1ccc(COc2ccc(F)cc2)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.75
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
TDP1 Q9NUW8 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
KMT2A Q03164 2/20 0.73
MAPK1 P28482 1/20 0.73
HSD17B10 Q99714 1/20 0.73
KDM4E B2RXH2 1/20 0.68
MAPT P10636 3/20 0.66
LMNA P02545 1/20 0.64
TSHR P16473 1/20 0.64
HSP90AA1 P07900 1/20 0.63
NR4A2 P43354 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL6815339 0.85 POLB (0.77) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6814497 0.84 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12443358 0.84 NPC1 (0.75) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL1756442 0.83 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6810773 0.83 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6814360 0.83 NPC1 (0.76) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6815374 0.83 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6818904 0.82 RAB9A (0.78) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6810769 0.82 POLB (0.81) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2555388 0.82 POLB (0.71) POLBNPC1RAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US 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
US-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 US disclosed
CN-1178913-C Aromatic heterocycle compounds having HIV integrase inhibiting activities ��Ұ����ҩ��ʽ���� 2004-12-08 CN disclosed
US-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers SHIONOGI & CO., LTD. (JP) 2004-02-26 US 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
US-20030171406-A1 Medicinal compositions containing propenone derivatives SHIONOGI & CO., LTD (JP) 2003-09-11 US disclosed
EP-1297834-A1 INHIBITOR FOR ENZYME HAVING TWO DIVALENT METAL IONS AS ACTIVE CENTERS SHIONOGI & CO., LTD. (JP) 2003-04-02 EP disclosed
EP-1295879-A1 MEDICINAL COMPOSITIONS CONTAINING PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2003-03-26 EP disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP 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 (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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 POLB 58/4885NPC1 934/4885RAB9A 2021/4885
US-20030171406-A1 Medicinal compositions containing propenone derivatives RPL17, EBP, SERPINB1 POLB 68/4885NPC1 1276/4885RAB9A 4256/4885
US-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers GAA, CMA1, MMEL1 POLB 1116/4885NPC1 3416/4885RAB9A 3944/4885

“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.