SCHEMBL6841330

SCHEMBL6841330

S=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc(Nc2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 4/20 0.56
ALOX12 P18054 2/20 0.56
NPSR1 Q6W5P4 6/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
MIF P14174 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.50
MAOB P27338 1/20 0.48
KDR P35968 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL28056305 0.86 MEN1 (0.53) RAB9ANPC1KDM4EKMT2AGAA
SCHEMBL5456937 0.76 SMN1; SMN2 (0.72) RAB9ANPC1ALOX12NPSR1ALDH1A1
SCHEMBL6937435 0.74 ITGB3 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL15484146 0.74 IDO1 (0.75) NPSR1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3957102 0.73 HTR3E (0.58) NPC1KMT2AMEN1KDRHPGD
SCHEMBL7098462 0.73 MAOB (0.61) RAB9ANPC1ALOX12NPSR1ALDH1A1
SCHEMBL2682040 0.72 RAB9A (0.71) RAB9ANPC1ALOX12NPSR1ALDH1A1
SCHEMBL2634977 0.72 SMN1; SMN2 (0.87) RAB9ANPC1ALOX12NPSR1ALDH1A1
SCHEMBL14434237 0.71 MAPT (1.00) RAB9ANPSR1ALDH1A1KDM4EMAPT
SCHEMBL21258999 0.71 NPC1 (0.60) RAB9ANPC1ALDH1A1KDM4EMAPT

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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US claimed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US claimed

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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 RAB9A 4339/4885NPC1 558/4885ALOX12 1821/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 RAB9A 4339/4885NPC1 558/4885ALOX12 1821/4885

“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.