SCHEMBL3924265

SCHEMBL3924265

O=c1[nH]c(C(F)(F)F)nc2sc3c(c12)CCCC3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ ALDH1A1 P00352 7/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ BRD4 O60885 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PARP1 P09874 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RNASEL Q05823 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TP53 P04637 1/20 0.51

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
SCHEMBL1368915 0.78 ALDH1A1 (0.71) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL1368527 0.78 HIF1A (1.00) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL2153784 0.77 TP53 (0.55) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL11489588 0.75 HIF1A (0.65) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL6212742 0.74 HDAC6 (1.00) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL4383240 0.74 ALDH1A1 (0.69) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL8189548 0.73 ALDH1A1 (0.67) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL11477883 0.73 ALDH1A1 (0.67) HIF1ACYP1A2ALDH1A1KDM4EGAA
SCHEMBL8202037 0.73 ALDH1A1 (0.67) HIF1ACYP1A2ALDH1A1KDM4EGAA
Water SCHEMBL11479741 0.73 ALDH1A1 (0.67) HIF1ACYP1A2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US disclosed
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 — — EP disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US disclosed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 — — WO 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM HIF1A 4349/4885CYP1A2 4817/4885ALDH1A1 4718/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 HIF1A 4319/4885CYP1A2 4755/4885ALDH1A1 4655/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B HIF1A 4323/4885CYP1A2 4270/4885ALDH1A1 4146/4885

“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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