SCHEMBL4028463

SCHEMBL4028463

O=C(O)c1c(O)ccc2cc(Br)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.56
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
CES2 O00748 1/20 0.44
GALR3 O60755 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.42
LCK P06239 1/20 0.41
DHODH Q02127 1/20 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
SCHEMBL23640511 0.84 ERN1 (0.54) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL15528059 0.82 RXFP1 (0.53) ERN1MEN1KMT2ARXFP1MAPT
SCHEMBL732139 0.81 CA12 (0.48) ERN1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL30178354 0.81 CA12 (0.48) ERN1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL3978695 0.81 KDM4E (0.53) ERN1MEN1KMT2ARXFP1MAPT
SCHEMBL4751251 0.81 ALDH1A1 (0.48) ERN1MEN1KMT2ARXFP1MAPT
SCHEMBL13573125 0.81 CA1 (0.50) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL4027557 0.80 ERN1 (0.50) ERN1MEN1KMT2ARXFP1MAPT
SCHEMBL3914003 0.80 KDM4E (0.53) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL29322563 0.80 ERN1 (0.47) ERN1MEN1KMT2ARXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-7276512-B2 Benzo[a]pyrano[3,2-h]acridin-7-one compounds LES LABORATOIRES SERVIER (FR) 2007-10-02 US disclosed
CN-1289502-C New derivatives of benzo[a]pyrano[3,2-h]acridin-7-one, a process for their preparation and pharmaceutical compounds containing them SERVIER LAB (FR) 2006-12-13 CN disclosed
CN-1576277-A New derivatives of benzo[a]pyrano[3,2-h]acridin-7-one, a process for their preparation and pharmaceutical compounds containing them SERVIER LAB (FR) 2005-02-09 CN disclosed
US-20040266753-A1 Benzo[a]pyrano[3,2-h]acridin-7-one compounds LES LABORATOIRES SERVIER (FR) 2004-12-30 US disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed
US-4137272-A Process for the manufacture of 2-alkoxy-6-bromo-naphthalenes HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4137272-A Process for the manufacture of 2-alkoxy-6-bromo-naphthalenes HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-30 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 (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-20040266753-A1 Benzo[a]pyrano[3,2-h]acridin-7-one compounds CBR1, AHR, AR ERN1 2245/4885MEN1 4527/4885KMT2A 1458/4885

“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.