SCHEMBL3452107

SCHEMBL3452107

CC1CCC(Oc2ccc(-c3csc(N(Cc4ccccc4C(=O)O)C4CCCC4)n3)cc2)CC1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.41
MEN1 O00255 10/20 0.41
ALDH1A1 P00352 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
CPB1 P15086 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL13109550 0.99 KMT2A (0.41) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL13109555 0.99 KMT2A (0.41) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3452102 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3452106 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3452619 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3451223 0.86 ITGB3 (0.45) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL13109546 0.85 ITGB3 (0.46) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3451457 0.85 ITGB3 (0.47) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3451932 0.84 ITGB3 (0.47) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL3451936 0.84 ITGB3 (0.47) KMT2AMEN1ALDH1A1ITGB3ITGA2B

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 KMT2A 2090/4885MEN1 1990/4885ALDH1A1 1513/4885

“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.