SCHEMBL1897396

SCHEMBL1897396

COc1cc2c(cc1OC)C(Br)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
KLK7 P49862 1/20 0.49
ACHE P22303 3/20 0.45
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL29752609 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3079250 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3069771 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3081827 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL31098140 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3088970 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3075172 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL3073983 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDKLK7ACHE
SCHEMBL1893563 0.76 GAA (0.52) KDM4EALDH1A1ACHEGAACYP3A4
SCHEMBL27881140 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDKLK7ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671829-B Heterodiad taking indenone and dibenzoazepine as parent nucleus and hydrochloride thereof, preparation method and application thereof 合肥工业大学 2023-07-25 CN disclosed
CN-114671829-A Heterodiad with indanone and dibenzoazepine as parent nucleus, hydrochloride thereof, preparation method and application thereof 合肥工业大学 2022-06-28 CN disclosed
US-9096520-B2 Tricyclic ideno-pyrrole derivatives as serotonin receptor modulators ABT HOLDING COMPANY (US) 2015-08-04 US disclosed
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-8716324-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2014-05-06 US disclosed
US-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators ATHERSYS, INC. (US) 2012-10-04 US disclosed
US-8232311-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2012-07-31 US disclosed
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators BENNANI YOUSSEF L 2011-07-14 US disclosed
US-7935830-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2011-05-03 US disclosed
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. 2009-09-24 US disclosed
EP-1841738-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-10-10 EP disclosed
WO-2007081299-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2007-07-19 WO disclosed
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-02-02 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 (5 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-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E KDM4E 1149/4885ALDH1A1 1298/4885HPGD 586/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E KDM4E 1149/4885ALDH1A1 1298/4885HPGD 586/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E KDM4E 1149/4885ALDH1A1 1298/4885HPGD 586/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E KDM4E 1149/4885ALDH1A1 1298/4885HPGD 586/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E KDM4E 1149/4885ALDH1A1 1298/4885HPGD 586/4885

“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.