SCHEMBL2482181

SCHEMBL2482181

C=CCSc1n[nH]c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.74
▸ NPC1 O15118 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ TP53 P04637 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ DCUN1D1 Q96GG9 3/20 0.67
▸ MAPT P10636 3/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TYMP P19971 4/20 0.60
▸ ROCK2 O75116 1/20 0.56
▸ GRK2 P25098 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALPL P05186 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ GRK6 P43250 1/20 0.45
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 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
SCHEMBL14752770 0.85 HPGD (0.74) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8671162 0.85 HPGD (1.00) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2485358 0.82 TP53 (1.00) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL12491298 0.80 TYMP (0.66) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8158453 0.74 DCUN1D1 (0.74) NPC1RAB9ASMN1; SMN2DCUN1D1MAPT
SCHEMBL9596934 0.71 HPGD (0.64) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4190123 0.71 KDM4E (1.00) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14611720 0.70 HPGD (0.48) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL11511064 0.68 DCUN1D1 (0.66) RAB9ADCUN1D1MAPTTYMPROCK2
SCHEMBL14752773 0.68 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 — — US claimed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 — — US claimed
WO-2011111077-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 — — WO claimed
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 — — US disclosed
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 — — US disclosed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 — — US disclosed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 — — US disclosed
US-8865910-B2 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-21 — — US disclosed
US-8865910-B2 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-21 — — US disclosed
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-07 — — US disclosed
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-07 — — US disclosed
WO-2011111077-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 — — 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 (2 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-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 HPGD 1506/4885NPC1 1038/4885RAB9A 3925/4885
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 HPGD 810/4885NPC1 3015/4885RAB9A 3134/4885

“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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