SCHEMBL25835874

SCHEMBL25835874

CSCc1nncn1-c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
EP300 Q09472 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
NOTUM Q6P988 2/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
BRD4 O60885 2/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL11379919 0.67 ESR1 (0.43) NPSR1KDM4EALOX15TSHRMAPK1
SCHEMBL11510982 0.64 SMN1; SMN2 (0.50) NPSR1EP300TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL11378680 0.64 ALDH1A1 (0.47) ALOX15TSHRMAPK1ALDH1A1GAA
SCHEMBL22290242 0.62 LOXL2 (0.38) KDM4EMAPK1ALDH1A1LMNAGAA
SCHEMBL28477056 0.61 MAPK1 (0.49) MAPK1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL29089722 0.61 MAPK1 (0.53) L3MBTL1TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL20333678 0.60 MAPK9 (0.40) NPSR1KDM4EALDH1A1SMN1; SMN2HCAR1
SCHEMBL515186 0.60 MAPT (0.56) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL14204025 0.59 FGFR1 (0.36) EP300KDM4EALDH1A1LMNAGAA
SCHEMBL6518759 0.59 CYP2C9 (0.58) L3MBTL1KDM4EALOX15TSHRALDH1A1

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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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 (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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 NPSR1 16/4885EP300 1862/4885L3MBTL1 1157/4885

“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.