SCHEMBL17447456

SCHEMBL17447456

C=CC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 6/20 0.76
▸ KDR P35968 3/20 0.66
▸ CFTR P13569 9/20 0.64
▸ USP2 O75604 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ ACHE P22303 1/20 0.53

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
SCHEMBL29171356 0.86 BAZ2B (0.82) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL12868564 0.82 LMNA (0.78) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL30228575 0.81 BAZ2B (0.74) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21162488 0.81 BAZ2B (0.74) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL23828254 0.79 CFTR (0.75) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL3087738 0.79 BAZ2B (0.70) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL23828253 0.77 CFTR (1.00) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL23828290 0.77 CFTR (1.00) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL30570539 0.77 CFTR (1.00) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL168545 0.77 ALOX15 (0.97) BAZ2BKDRCFTRUSP2CYP1A2

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 BAZ2B 1189/4885KDR 2512/4885CFTR 3784/4885
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 BAZ2B 379/4885KDR 1693/4885CFTR 3826/4885
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 BAZ2B 1189/4885KDR 2512/4885CFTR 3784/4885

“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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