SCHEMBL3222142

SCHEMBL3222142

O=C(O)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
POLB P06746 5/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Bromide SCHEMBL4677319 0.98 TDP1 (0.56) TDP1POLBMAPTL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL755891 0.98 TDP1 (0.56) TDP1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL4677316 0.85 HTT (0.44) TDP1POLBMAPTHTTKMT2A
SCHEMBL3532005 0.85 TDP1 (0.62) TDP1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL901472 0.84 TDP1 (0.72) TDP1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL3218824 0.84 HTT (0.43) TDP1POLBMAPTHTT
SCHEMBL27555763 0.84 TDP1 (0.56) TDP1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL3221601 0.84 HTT (0.47) TDP1POLBMAPTHTTKMT2A
Hydrochloric Acid SCHEMBL4672680 0.83 TDP1 (0.60) TDP1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL27488732 0.80 ALDH1A1 (0.42) TDP1POLBMAPTHTTNPC1

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 20 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
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US disclosed
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
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
CN-1446213-A Medicinal compositions containing propenone derivatives SHIONOGI & CO (JP) 2003-10-01 CN 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
CN-1367784-A Process for preparing substituted propenone derivatives SHIONOGI & CO (JP) 2002-09-04 CN disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP 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 (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 TDP1 306/4885POLB 58/4885MAPT 205/4885
US-20030171406-A1 Medicinal compositions containing propenone derivatives RPL17, EBP, SERPINB1 TDP1 2165/4885POLB 68/4885MAPT 3140/4885
US-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers GAA, CMA1, MMEL1 TDP1 1969/4885POLB 1116/4885MAPT 3070/4885

“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.