SCHEMBL25835993

SCHEMBL25835993

COc1nncn1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 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
SCHEMBL11387427 0.73 CYP1A2 (0.53) ALDH1A1LMNASMN1; SMN2GAACYP1A2
SCHEMBL11382140 0.68 CYP1A2 (0.52) ALDH1A1SMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL29636320 0.68 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2GAACYP1A2
SCHEMBL20333678 0.66 MAPK9 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL11391773 0.65 CYP1A2 (0.51) ALDH1A1LMNASMN1; SMN2GAACYP1A2
SCHEMBL6518759 0.64 CYP2C9 (0.58) ALDH1A1LMNASMN1; SMN2GAACYP1A2
SCHEMBL21721576 0.64 TDP1 (0.33) ALDH1A1LMNAKMT2A
SCHEMBL9288138 0.63 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2CYP1A2L3MBTL1
SCHEMBL10166461 0.63 OPRD1 (0.42) ALDH1A1EP300L3MBTL1KDM4EKMT2A
P-Xylene SCHEMBL4858832 0.60 ACHE (0.73) ALDH1A1LMNAACHETSHR

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 TUBB4A 4234/4885TUBB 4133/4885TUBA3C 3285/4885

“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.