SCHEMBL156261

SCHEMBL156261

CN(C)Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
HRH3 Q9Y5N1 4/20 0.56
LSS P48449 1/20 0.54
LOXL2 Q9Y4K0 2/20 0.54
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
NSD2 O96028 1/20 0.50
SLC6A4 P31645 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ROCK2 O75116 1/20 0.45
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 SCHEMBL28582005 0.98 CYP2A6 (0.56) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL10924184 0.94 LSS (0.57) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL10925683 0.89 SNCA (0.50) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL10925686 0.89 SNCA (0.50) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL10928213 0.86 MAOB (0.62) HRH3SLC6A4
SCHEMBL6246127 0.83 CYP2A6 (0.54) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL12977907 0.83 CYP2A6 (0.54) CYP2A6HRH3LSSLOXL2ALDH1A1
SCHEMBL23374744 0.81 CYP2A6 (0.57) CYP2A6HRH3LOXL2ALDH1A1TSHR
SCHEMBL659509 0.80 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1POLB
SCHEMBL129128 0.79 CYP2A6 (0.50) CYP2A6HRH3LSSLOXL2ALDH1A1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US claimed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US claimed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US claimed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
CN-116390908-A Antiviral treatment 生态合成股份有限公司 2023-07-04 CN disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-20230015767-A1 PHOTOSENSITIVE COLORING COMPOSITION, CURED SUBSTANCE, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, AND ASYMMETRIC DIKETOPYRROLOPYRROLE COMPOUND FUJIFILM CORPORATION (JP) 2023-01-19 US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 US disclosed
US-6262292-B1 FORMING CYANAOBENZALDEHYDE BY OXIDATION OF CYANOBENZYLAMINE SHOWA DENKO K.K. (JP) 2001-07-17 US disclosed
EP-1083165-A1 PROCESSES FOR PRODUCING CYANOPHENYL DERIVATIVES Showa Denko Kabushiki Kaisha (JP) 2001-03-14 EP disclosed
EP-0370693-B1 Novel onium salts and the use thereof as photoinitiators EASTMAN KODAK CO (US) 1994-04-06 EP disclosed
US-5141969-A Onium salts and the use thereof as photoinitiators EASTMAN KODAK COMPANY (US) 1992-08-25 US disclosed
US-5055376-A Curable compositions containing onium salt photoinitiators which have a chromophore linked to the onium salt moiety through the 3-position and method of use EASTMAN KODAK COMPANY (US) 1991-10-08 US disclosed
EP-0370693-A2 Novel onium salts and the use thereof as photoinitiators EASTMAN KODAK COMPANY (US) 1990-05-30 EP disclosed
US-4154928-A Substituted isoxazolo compounds SANDOZ, INC. (US) 1979-05-15 US disclosed
US-4113727-A Process for the preparation of substituted isoxazolo[4,5-c]pyridin-4-(5H)-ones SANDOZ, INC. (US) 1978-09-12 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 (4 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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP2A6 3308/4885HRH3 3547/4885LSS 1851/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT CYP2A6 3308/4885HRH3 3547/4885LSS 1851/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP2A6 3308/4885HRH3 3547/4885LSS 1851/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT CYP2A6 3308/4885HRH3 3547/4885LSS 1851/4885

“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.