SCHEMBL4068210

SCHEMBL4068210

COc1cccc(C(=O)N2CCN=C2SC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
USP2 O75604 1/20 0.59
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.57
KDM2B Q8NHM5 1/20 0.56
TSHR P16473 2/20 0.53
GFER P55789 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL17918385 0.75 KDM2B (0.70) KMT2AALDH1A1KDM2BTSHRMAPT
SCHEMBL9579405 0.73 L3MBTL1 (0.70) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL15036777 0.71 L3MBTL1 (0.76) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL2536884 0.71 L3MBTL1 (0.76) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL2534098 0.70 L3MBTL1 (0.74) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL21632795 0.69 MAPT (1.00) KMT2AALDH1A1TSHRMAPTHSD17B10
SCHEMBL30479678 0.69 MAPT (1.00) KMT2AALDH1A1TSHRMAPTHSD17B10
SCHEMBL13504020 0.69 ALDH1A1 (0.74) KMT2AALDH1A1MEN1PKML3MBTL1
SCHEMBL26296156 0.69 ALDH1A1 (0.74) KMT2AALDH1A1MEN1PKML3MBTL1
SCHEMBL3846426 0.68 L3MBTL1 (0.70) KMT2AALDH1A1MEN1L3MBTL1

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
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP 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-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

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 1838/4885ALDH1A1 3912/4885LMNA 2506/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R KMT2A 2114/4885ALDH1A1 3816/4885LMNA 2558/4885

“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.