SCHEMBL4816263

SCHEMBL4816263

Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NISCH Q9Y2I1 5/20 0.43
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4072984 0.84 KMT2A (0.64) KMT2ANISCHGAATSHRLMNA
SCHEMBL14026994 0.82 KMT2A (0.52) KMT2ANISCHGAATSHRLMNA
SCHEMBL4063573 0.80 NISCH (0.48) KMT2ANISCHGAATSHRLMNA
SCHEMBL4066929 0.80 NISCH (0.51) KMT2ANISCHGAATSHRLMNA
SCHEMBL4068916 0.80 NISCH (0.48) KMT2ANISCHGAATSHRLMNA
SCHEMBL4372571 0.80 NISCH (0.54) KMT2ANISCHGAATSHR
SCHEMBL4072876 0.80 NISCH (0.51) KMT2ANISCHGAATSHRL3MBTL1
SCHEMBL4361696 0.80 KMT2A (0.57) KMT2ANISCHGAATSHRLMNA
SCHEMBL4822480 0.79 KMT2A (0.50) KMT2ANISCHGAATSHRLMNA
Hydrochloric Acid SCHEMBL4912435 0.79 KMT2A (0.60) KMT2ANISCHGAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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 (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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R KMT2A 1838/4885NISCH 1934/4885GAA 2982/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R KMT2A 2114/4885NISCH 2500/4885GAA 2702/4885

“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.