Sugi Predict

Sugi Predict / Compounds / SCHEMBL3221601

SCHEMBL3221601

SCHEMBL3221601

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ POLB P06746 3/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL3222142 0.84 TDP1 (0.58) HTTPOLBKMT2AMAPTTDP1
SCHEMBL4676363 0.84 ALDH1A1 (0.57) HTTPOLBKMT2AALDH1A1GAA
SCHEMBL756355 0.84 LMNA (0.56) HTTKMT2AALDH1A1GAANPSR1
SCHEMBL13351840 0.84 HTT (0.53) HTTKMT2AALDH1A1GAANPSR1
SCHEMBL4677316 0.84 HTT (0.44) HTTPOLBKMT2AALDH1A1GAA
SCHEMBL4673140 0.84 HTT (0.49) HTTKMT2AALDH1A1GAAMAOB
SCHEMBL4674508 0.82 ALDH1A1 (0.46) HTTPOLBKMT2AALDH1A1MAOB
Hydrochloric Acid SCHEMBL755891 0.82 TDP1 (0.56) HTTPOLBMAPTTDP1
Bromide SCHEMBL4677319 0.82 TDP1 (0.56) HTTPOLBKMT2AMAPTTDP1
SCHEMBL3218824 0.82 HTT (0.43) HTTPOLBALDH1A1GAANPSR1

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 HTT 1204/4885POLB 58/4885KMT2A 597/4885
US-20030171406-A1 Medicinal compositions containing propenone derivatives RPL17, EBP, SERPINB1 HTT 3950/4885POLB 68/4885KMT2A 3988/4885
US-20040039060-A1 Inhibitor for enzyme having two divalent metal ions as active centers GAA, CMA1, MMEL1 HTT 4414/4885POLB 1116/4885KMT2A 1875/4885

“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.