SCHEMBL2186007

SCHEMBL2186007

COC(=O)N(Cc1cccnc1)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
KMT2A Q03164 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
RIPK1 Q13546 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL2186172 0.86 TDP1 (0.52) CHRNB2CHRNA4KMT2ATRPM8ALDH1A1
SCHEMBL12277668 0.86 RIPK1 (0.59) CHRNB2CHRNA4KMT2AALDH1A1RIPK1
SCHEMBL2187051 0.81 KDM4E (0.61) CHRNB2CHRNA4KMT2ATRPM8ALDH1A1
SCHEMBL4018145 0.79 LMNA (0.56) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL12277694 0.78 CHRNA7 (0.53) RIPK1
SCHEMBL14276916 0.78 SMN1; SMN2 (0.51) CHRNB2CHRNA4KMT2ATRPM8ALDH1A1
SCHEMBL20057648 0.77 CHRNB2 (0.60) CHRNB2CHRNA4KMT2ATRPM8ALDH1A1
Ammonia Solution, Strong SCHEMBL27841922 0.77 NAPRT (0.61) CHRNB2CHRNA4ALDH1A1SMN1; SMN2GAA
SCHEMBL31336442 0.77 KMT2A (0.58) KMT2ATRPM8ALDH1A1SMN1; SMN2MEN1
SCHEMBL2188785 0.77 TDP1 (0.58) KMT2AMEN1

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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 CHRNB2 1165/4885CHRNA4 1366/4885KMT2A 1134/4885

“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.