SCHEMBL408382

SCHEMBL408382

CSc1nnc(-c2ccccc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
EGFR P00533 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 3/20 0.55
ATAD2 Q6PL18 1/20 0.52
NOTUM Q6P988 1/20 0.52
MAPK1 P28482 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 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
SCHEMBL12897993 0.82 HPGD (0.70) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20221777 0.82 HPGD (0.70) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29246728 0.82 HPGD (0.69) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL720937 0.81 HPGD (0.68) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6263973 0.81 HPGD (0.68) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8811234 0.81 HPGD (0.68) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL26051623 0.80 HPGD (0.67) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL12377802 0.80 HPGD (0.67) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6245001 0.80 HPGD (0.67) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8348993 0.79 CYP1A2 (0.73) HPGDRAB9ASMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116926578-A Method for synthesizing heteroaryl thiophenol 新疆大学 2023-10-24 CN disclosed
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS MASSACHUSETTS GENERAL HOSPITAL 2020-05-07 US disclosed
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS MASSACHUSETTS GENERAL HOSPITAL 2020-05-07 US disclosed
US-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 US disclosed
US-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS NIH - DEITR 2016-02-04 US disclosed
WO-2014165090-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-09 WO disclosed
WO-2014165090-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-09 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
EP-0315997-B1 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA (JP) 1994-04-20 EP disclosed
EP-0209751-B1 CEPHALOSPORIN DERIVATIVES AND BACTERICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-09-16 EP disclosed
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
US-4971961-A ANTIBIOTICS AS BACTERICIDES AGAINST PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 1990-11-20 US disclosed
EP-0315997-A2 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1989-05-17 EP disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 US disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 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 (4 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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB HPGD 382/4885RAB9A 3054/4885SMN1; SMN2 4593/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB HPGD 382/4885RAB9A 3054/4885SMN1; SMN2 4593/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HPGD 1034/4885RAB9A 1525/4885SMN1; SMN2 2301/4885
US-20160031870-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB HPGD 382/4885RAB9A 3054/4885SMN1; SMN2 4593/4885

“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.