SCHEMBL4560056

SCHEMBL4560056

CC(=O)Nc1ccc(C2=C(C)CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ABCB1 P08183 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NAMPT P43490 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NOD1 Q9Y239 1/20 0.47
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 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
SCHEMBL986835 0.84 MAPT (0.54) MEN1KMT2AABCB1ALDH1A1KDM4E
SCHEMBL8183696 0.81 LMNA (0.57) ALDH1A1TSHRHSD17B10LMNAMAPT
SCHEMBL16795975 0.80 KDM4E (0.52) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3824262 0.80 SMN1; SMN2 (0.45) MEN1KMT2AABCB1KDM4ETSHR
SCHEMBL10101324 0.77 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL8203959 0.76 AR (0.52) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL986997 0.76 MAPT (0.54) MEN1KMT2AABCB1ALDH1A1KDM4E
SCHEMBL8194801 0.73 PRMT5 (0.42) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL4562160 0.73 OTUD7B (0.45) MEN1KMT2AALDH1A1KDM4ENAMPT
SCHEMBL9742938 0.73 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-10-31 US disclosed
EP-2638032-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES Synta Pharmaceuticals Corp. (US) 2013-09-18 EP disclosed
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 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 (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-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, IL5, TPMT MEN1 4173/4885KMT2A 3121/4885ABCB1 653/4885

“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.