SCHEMBL3300097

SCHEMBL3300097

CC(=O)Oc1cccc2c1CCN2C(C)=O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.76
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
POLB P06746 1/20 0.43
UCHL1 P09936 2/20 0.41

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
SCHEMBL3895361 0.86 NOTUM (1.00) NOTUMDRD2DRD4UCHL1
SCHEMBL30730960 0.86 NOTUM (1.00) NOTUMDRD2DRD4UCHL1
SCHEMBL6690150 0.85 NOTUM (0.72) NOTUMCYP2D6CYP2C9DRD2DRD4
SCHEMBL3300094 0.80 NOTUM (0.68) NOTUMDRD2DRD4POLBUCHL1
SCHEMBL13390819 0.80 NOTUM (0.68) NOTUMCYP2D6CYP2C9DRD2DRD4
SCHEMBL13390815 0.80 NOTUM (0.68) NOTUMDRD2DRD4POLBUCHL1
SCHEMBL6687673 0.78 NOTUM (0.71) NOTUMCYP2D6CYP2C9POLB
SCHEMBL3300297 0.78 NOTUM (0.71) NOTUMCYP2D6CYP2C9POLB
SCHEMBL4532424 0.78 NOTUM (0.71) NOTUMCYP2D6CYP2C9POLBUCHL1
SCHEMBL2619231 0.78 NOTUM (1.00) NOTUMCYP2D6CYP2C9DRD2DRD4

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-8642785-B2 Photolabile dinitroindolinyl based compounds PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2014-02-04 US disclosed
US-20100096252-A1 PHOTOLABILE DINITROINDOLINYL BASED COMPOUNDS PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF (US) 2010-04-22 US disclosed
WO-2008094922-A1 PHOTOLABILE DINITROINDOLINYL BASED COMPOUNDS PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2008-08-07 WO disclosed
WO-2004085394-A1 7-NITROINDOLINE DERIVATIVES AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2004-10-07 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-20100096252-A1 PHOTOLABILE DINITROINDOLINYL BASED COMPOUNDS AANAT, TPH2, HTR3C NOTUM 2995/4885CYP2D6 3218/4885CYP2C9 4367/4885

“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.