SCHEMBL25835868

SCHEMBL25835868

COCc1nncn1-c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 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 6/20 0.35
GAA P10253 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 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
SCHEMBL25835864 0.84 TDP1 (0.38) L3MBTL1KDM4ETSHRMAPK1ALDH1A1
SCHEMBL25835993 0.77 TUBB4A (0.42) L3MBTL1KDM4EALOX15TSHRALDH1A1
SCHEMBL25835874 0.77 NPSR1 (0.38) L3MBTL1KDM4EALOX15TSHRMAPK1
SCHEMBL25836116 0.76 F2 (0.40) L3MBTL1KDM4EALOX15TSHRALDH1A1
SCHEMBL23975974 0.74 KMT2A (0.40) L3MBTL1ALDH1A1TDP1RXRAGRIN1
SCHEMBL30430043 0.74 MAPK1 (0.43) ALOX15TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL25836001 0.71 CACNA2D1 (0.39) TSHRSMN1; SMN2LMNANPSR1EP300
SCHEMBL11379919 0.70 ESR1 (0.43) KDM4EALOX15TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL11378680 0.70 ALDH1A1 (0.47) ALOX15TSHRMAPK1ALDH1A1GAA
SCHEMBL25836039 0.67 TUBB4A (0.40) 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 L3MBTL1 1157/4885KDM4E 2469/4885ALOX15 1691/4885

“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.