SCHEMBL14865820

SCHEMBL14865820

O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
ALDH1A1 P00352 7/20 0.58
EPHX1 P07099 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL14162005 0.89 MEN1 (0.74) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL3046724 0.87 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14859447 0.86 RAB9A (0.71) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL27447692 0.86 NPC1 (0.76) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14859803 0.85 KMT2A (0.66) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL4628969 0.85 NPC1 (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14859166 0.84 KMT2A (0.58) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL5448004 0.82 ALDH1A1 (0.72) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL12068653 0.82 RAB9A (0.56) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL14096531 0.81 ALDH1A1 (0.69) NPC1RAB9AKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US 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 (1 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-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 NPC1 1260/4885RAB9A 2456/4885KMT2A 2604/4885

“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.