SCHEMBL17447465

SCHEMBL17447465

COC(=O)/C=C/CNC(=O)c1[nH]c2ccccc2c1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
MAOA P21397 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 2/20 0.40
MCL1 Q07820 1/20 0.40
NR4A2 P43354 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
SCHEMBL5969999 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL5970635 0.75 MCL1 (0.55) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7675702 0.74 GAA (0.63) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL5508274 0.72 ALDH1A1 (0.65) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL29736213 0.72 ALDH1A1 (0.65) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7338590 0.72 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL30595729 0.72 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL18041151 0.72 HDAC3 (0.66) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL17438029 0.70 EGFR (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL17447387 0.70 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT

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-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 US disclosed
US-9586890-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2017-03-07 US disclosed
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2016-01-21 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 (3 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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 ALDH1A1 1314/4885HSD17B10 4242/4885MEN1 2112/4885
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, UBQLN1 ALDH1A1 2967/4885HSD17B10 4038/4885MEN1 2241/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 ALDH1A1 1314/4885HSD17B10 4242/4885MEN1 2112/4885

“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.