SCHEMBL4823154

SCHEMBL4823154

COc1ccc(Br)cc1CSc1ccccc1C(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CTSD P07339 1/20 0.50
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MC4R P32245 2/20 0.44
MAPT P10636 2/20 0.44
KCNH2 Q12809 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6745160 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4165566 0.83 SMN1; SMN2 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4823427 0.82 MC4R (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
Formic Acid SCHEMBL4823423 0.81 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4823936 0.80 KDM4E (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4007811 0.79 KDM4E (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4823620 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4823733 0.77 MEN1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL18920757 0.76 KDM4E (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4360177 0.76 KMT2A (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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 6 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

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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R ALDH1A1 3912/4885KMT2A 1838/4885MEN1 320/4885

“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.