SCHEMBL29635591

SCHEMBL29635591

COc1cccc(-n2cccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 2/20 0.47
DGAT2 Q96PD7 2/20 0.46
MGLL Q99685 1/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
ADRB1 P08588 1/20 0.44
KAT6A Q92794 1/20 0.43

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
SCHEMBL254803 1.00 NOTUM (0.63) NOTUMMAPTKDM4EHPGDALDH1A1
SCHEMBL25426507 0.85 DGAT2 (0.53) NOTUMMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL30245937 0.85 DGAT2 (0.53) NOTUMMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL16540016 0.83 MAOB (0.52) NOTUMNPC1RAB9A
SCHEMBL5934873 0.82 NOTUM (0.57) NOTUMMAPTKDM4EALDH1A1NPC1
SCHEMBL598119 0.81 NOTUM (0.58) NOTUMMAPTKDM4EALDH1A1NPC1
SCHEMBL19540313 0.81 NOTUM (0.52) NOTUMMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL837064 0.81 NOTUM (0.44) NOTUMMAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6006151 0.81 NOTUM (0.55) NOTUMMAPTKDM4EALDH1A1NPC1
SCHEMBL17188515 0.79 LMNA (0.46) NOTUMMAPTKDM4EALDH1A1SMN1; SMN2

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-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 US disclosed
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 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 (5 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-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 NOTUM 3115/4885MAPT 694/4885KDM4E 813/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NOTUM 1328/4885MAPT 256/4885KDM4E 1401/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOTUM 1272/4885MAPT 268/4885KDM4E 1325/4885
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT NOTUM 4764/4885MAPT 561/4885KDM4E 3102/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOTUM 1527/4885MAPT 519/4885KDM4E 2133/4885

“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.