SCHEMBL21218064

SCHEMBL21218064

COCCCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL21217570 0.87 MAPK1 (0.36) RAB9AMAPK1ALDH1A1TP53MAPT
SCHEMBL21218027 0.85 ALDH1A1 (0.40) TSHRSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL22085071 0.82 SMN1; SMN2 (0.46) TSHRSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL20079712 0.80 TDP1 (0.47) KDM4EALDH1A1TP53POLBMEN1
SCHEMBL20161778 0.79 NAMPT (0.35) MAPK1ALDH1A1TP53RXFP1
SCHEMBL19590948 0.79 MTNR1A (0.46) KDM4EALDH1A1POLB
SCHEMBL19590941 0.76 KMT2A (0.39) SMN1; SMN2MAPK1KDM4EALDH1A1MEN1
SCHEMBL19590969 0.75 LMNA (0.37) RAB9ATSHRSMN1; SMN2MAPK1KDM4E
SCHEMBL19590910 0.73 ALDH1A1 (0.45) TSHRSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL19590972 0.73 MEN1 (0.47) RAB9ATSHRSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 — — 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-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C RAB9A 2599/4885TSHR 623/4885SMN1; SMN2 1441/4885

“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.

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