SCHEMBL3452286

SCHEMBL3452286

CC1CCC(Oc2ccc(-c3csc(N(Cc4cccs4)Cc4ccccc4C(=O)O)n3)cc2)CC1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 9/20 0.38
MEN1 O00255 8/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CPB1 P15086 1/20 0.36
POLB P06746 2/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL13109551 0.99 MAPT (0.39) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452290 0.92 MAPT (0.38) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452282 0.92 MAPT (0.38) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3453004 0.87 KMT2A (0.40) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452670 0.87 TRPM8 (0.44) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL13109561 0.86 KMT2A (0.40) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL13109575 0.86 TRPM8 (0.45) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452380 0.85 PPARD (0.44) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452383 0.85 PPARD (0.44) MAPTALDH1A1TSHRNPSR1KMT2A
SCHEMBL3452107 0.83 KMT2A (0.41) MAPTALDH1A1NPSR1KMT2AMEN1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MAPT 3732/4885ALDH1A1 1513/4885TSHR 90/4885

“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.