SCHEMBL9909078

SCHEMBL9909078

CC(=O)NC1=CC=CC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
ABL1 P00519 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NSD2 O96028 1/20 0.32
HSD17B10 Q99714 4/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL10678270 0.81 NAMPT (0.33) NAMPTPOLBGAAKDM4EMEN1
SCHEMBL13149689 0.77 MAPT (0.36) ALDH1A1MAPTKMT2AHTTSMN1; SMN2
SCHEMBL20057528 0.70 NPSR1 (0.35) POLBALDH1A1MAPTKMT2AHSD17B10
SCHEMBL21337963 0.69
SCHEMBL24520138 0.67 TSHR (0.38) KMT2AHSD17B10TDP1TSHRMAPK1
SCHEMBL16417296 0.66 SMN1; SMN2 (0.46) NAMPTPOLBGAAKDM4EMEN1
SCHEMBL18602233 0.66 PGR (0.32) NAMPTGAAMEN1ALDH1A1KMT2A
SCHEMBL17146854 0.65 EPHX2 (0.38) NAMPTGAAKDM4EMEN1ALDH1A1
SCHEMBL12632950 0.65
SCHEMBL16372323 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840582-B2 Synthesis method of cyclosporine derivatives PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2023-12-12 US disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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 (2 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-11840582-B2 Synthesis method of cyclosporine derivatives IL2, CTSL, STOM NAMPT 1781/4885ABL1 1215/4885POLB 1464/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET NAMPT 2928/4885ABL1 4/4885POLB 3783/4885

“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.