SCHEMBL15775340

SCHEMBL15775340

CC(C)Oc1ccc(C(N)C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
ALDH1A3 P47895 1/20 0.41
KMT2A Q03164 3/20 0.40
ACACB O00763 4/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACACA Q13085 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.35
MITF O75030 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
Hydrochloric Acid SCHEMBL15775459 0.98 PARP10 (0.42) PARP10ALDH1A3KMT2AACACBGLA
SCHEMBL6383878 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5685735 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAACYP1A2CYP2D6
SCHEMBL14121172 0.77 ADRB2 (0.50) PARP10ALDH1A3KMT2AACACBGLA
SCHEMBL15775533 0.77 HTT (0.40) KMT2AALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8284928 0.77 ADRB2 (0.50) PARP10ALDH1A3KMT2AACACBGLA
Hydrochloric Acid SCHEMBL14121068 0.75 PARP10 (0.48) PARP10ALDH1A3KMT2AACACBGLA
Hydrochloric Acid SCHEMBL15775498 0.75 IDO1 (0.41) ALDH1A1SMN1; SMN2POLBGAA
Hydrochloric Acid SCHEMBL16564090 0.74 SLC6A4 (0.50) PARP10ALDH1A3KMT2AACACBGLA
SCHEMBL11082329 0.74 PARP10 (0.47) PARP10ALDH1A3KMT2AACACBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP claimed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO 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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 PARP10 2451/4885ALDH1A3 2218/4885KMT2A 875/4885

“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.