SCHEMBL26501699

SCHEMBL26501699

Cc1ccc(CC(=O)Nc2ccc(C(C)CO)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ITGB1 P05556 3/20 0.39
ITGA4 P13612 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL26501698 0.89 TSHR (0.43) TSHRITGB1ITGA4SMN1; SMN2HPGD
SCHEMBL26501545 0.88 SMN1; SMN2 (0.51) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26501695 0.84 SMN1; SMN2 (0.40) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26501696 0.84 SMN1; SMN2 (0.39) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26501697 0.82 RORC (0.41) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26501795 0.80 RAB9A (0.35) SMN1; SMN2LMNAPOLBRAB9ANPC1
SCHEMBL26501676 0.79 PANK3 (0.39) HPGD
SCHEMBL26501693 0.77 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL26501700 0.76 PTPN1 (0.40) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL26501655 0.72 DHFR (0.35) ALDH1A1LMNAMEN1KMT2A

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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 TSHR 4700/4885ITGB1 4214/4885ITGA4 3930/4885

“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.