SCHEMBL15749612

SCHEMBL15749612

CCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.69
▸ ALDH1A1 P00352 10/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ USP2 O75604 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ HTT P42858 4/20 0.66
▸ TP53 P04637 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ LMNA P02545 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ MAPK1 P28482 2/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ GLA P06280 1/20 0.62
▸ TSHR P16473 4/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61

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
SCHEMBL22801000 0.89 USP2 (0.65) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22800996 0.82 HTT (0.67) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL15749613 0.80 ALDH1A1 (0.79) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22800958 0.80 USP2 (0.57) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22801006 0.80 USP2 (0.57) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22828426 0.78 POLB (0.66) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22800961 0.77 ALDH1A1 (0.66) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL4669803 0.77 TSHR (0.68) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22800982 0.77 ALDH1A1 (0.64) POLBALDH1A1KMT2AUSP2MEN1
SCHEMBL22800978 0.77 USP2 (0.62) POLBALDH1A1KMT2AUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546176-B2 Small molecule bicyclic and tricyclic CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-01-17 — — US disclosed
US-9546176-B2 Small molecule bicyclic and tricyclic CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-01-17 — — US disclosed
US-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-29 — — US disclosed
US-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-29 — — US disclosed
WO-2014081821-A2 Small Molecule Bicyclic and Tricyclic CFTR Correctors DISCOVERYBIOMED, INC. (US) 2014-05-30 — — WO 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 (1 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-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS CFTR, CLCN2, CLIC1 POLB 3476/4885ALDH1A1 3829/4885KMT2A 4504/4885

“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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