SCHEMBL3765993

SCHEMBL3765993

COc1ccc2nc(C(F)(F)F)n(-c3ccc(NC(=O)Cc4ccccc4)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
ADRB2 P07550 1/20 0.46
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MET P08581 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
SCHEMBL2093763 0.93 RAB9A (0.55) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2092460 0.87 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15000704 0.83 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2093864 0.82 ALDH1A1 (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2093742 0.81 EPHX2 (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL13001609 0.81 RORC (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2094358 0.79 POLB (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2091593 0.79 MEN1 (0.52) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2095265 0.78 NPC1 (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3764117 0.78 ACSS2 (0.49) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 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 (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-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPT 1416/4885RAB9A 1725/4885SMN1; SMN2 4722/4885

“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.