SCHEMBL1037101

SCHEMBL1037101

C/C(=N\c1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.56
▸ NOS3 P29474 4/20 0.56
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ SLC22A3 O75751 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL1037102 1.00 NOS1 (0.56) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL19150099 0.79 NOS1 (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL20657618 0.79 NOS1 (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL9198559 0.79 NOS3 (0.48) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL9198554 0.79 NOS3 (0.48) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL26324825 0.78 NOS1 (0.52) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL10710252 0.76 NOS1 (0.50) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL27426991 0.74 KMT2A (0.45) NOS1NOS3MAPTKMT2AMEN1
SCHEMBL486925 0.74 NOS1 (0.67) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL165971 0.74 NOS1 (0.67) NOS1NOS3HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018031521-A1 AUREOBASIDIUM DERIVATIVES AND METHODS OF SYNTHESIS AUREOGEN BIOSCIENCES, INC. (US) 2018-02-15 — — WO disclosed
EP-1503979-B9 PROCESS FOR HYDROGENATING UNACTIVATED IMINES USING RUTHENIUM COMPLEXES AS CATALYSTS ABDUR-RASHID KAMALUDDIN (CA) 2014-10-29 — — EP disclosed
EP-1503979-B1 PROCESS FOR HYDROGENATING UNACTIVATED IMINES USING RUTHENIUM COMPLEXES AS CATALYSTS ABDUR RASHID KAMALUDDIN (CA) 2011-01-26 — — EP disclosed
EP-1503979-B1 PROCESS FOR HYDROGENATING UNACTIVATED IMINES USING RUTHENIUM COMPLEXES AS CATALYSTS ABDUR RASHID KAMALUDDIN (CA) 2011-01-26 — — EP disclosed
US-7256311-B2 Process for hydrogenating unactivated imines using ruthenium complexes as catalysts ABDUR-RASHID KAMALUDDIN 2007-08-14 — — US disclosed
US-7256311-B2 Process for hydrogenating unactivated imines using ruthenium complexes as catalysts ABDUR-RASHID KAMALUDDIN 2007-08-14 — — US disclosed
US-7256311-B2 Process for hydrogenating unactivated imines using ruthenium complexes as catalysts ABDUR-RASHID KAMALUDDIN 2007-08-14 — — US disclosed
US-20050209487-A1 Process for hydrogenating unactivated imines using ruthenium complexes as catalysts ABDUR-RASHID KAMALUDDIN 2005-09-22 — — US disclosed
EP-1503979-A1 PROCESS FOR HYDROGENATING UNACTIVATED IMINES USING RUTHENIUM COMPLEXES AS CATALYSTS Abdur-Rashid, Kamaluddin (CA) 2005-02-09 — — EP disclosed
WO-2003097571-A1 PROCESS FOR HYDROGENATING UNACTIVATED IMINES USING RUTHENIUM COMPLEXES AS CATALYSTS ABDUR-RASHID KAMALUDDIN (CA) 2003-11-27 — — 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-20050209487-A1 Process for hydrogenating unactivated imines using ruthenium complexes as catalysts HRH3, HRH4, HRH2 NOS1 1239/4885NOS3 947/4885HTR3E 1435/4885

“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.

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