SCHEMBL3662060

SCHEMBL3662060

CCCC(Cc1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
EPHX1 P07099 1/20 0.51
CPA3 P15088 3/20 0.50
FOLH1 Q04609 3/20 0.49
CPA1 P15085 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47

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
SCHEMBL2846532 1.00 CYP1A2 (0.55) CYP1A2HDAC3HDAC4HDAC1HDAC2
SCHEMBL2719254 0.90 CA1 (0.55) CYP1A2EPHX1CPA3FOLH1SLC1A3
SCHEMBL2187591 0.88 CSNK1E (0.55) CYP1A2FOLH1
SCHEMBL22558568 0.87 CSNK1E (0.57) FOLH1
SCHEMBL7789683 0.87 CSNK1E (0.57) FOLH1
SCHEMBL28081007 0.87 CSNK1E (0.57) FOLH1
SCHEMBL28058533 0.87 CSNK1E (0.57) FOLH1
SCHEMBL1825965 0.85 CYP1A2 (0.64) CYP1A2EPHX1CPA3FOLH1CPA1
SCHEMBL5710051 0.85 CYP1A2 (0.59) CYP1A2HDAC3HDAC4HDAC1HDAC2
SCHEMBL4550704 0.85 CYP1A2 (0.70) CYP1A2HDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 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 (4 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CYP1A2 2135/4885HDAC3 1357/4885HDAC4 2476/4885
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 CYP1A2 379/4885HDAC3 1661/4885HDAC4 1598/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 CYP1A2 379/4885HDAC3 1661/4885HDAC4 1598/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP CYP1A2 2135/4885HDAC3 1357/4885HDAC4 2476/4885

“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.