SCHEMBL606151

SCHEMBL606151

COc1ccc(Cn2c(=O)oc(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
CCR2 P41597 1/20 0.51
P2RX4 Q99571 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
GNAI1 P63096 1/20 0.47
PMP22 Q01453 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
SCHEMBL30908758 1.00 IDO1 (0.51) IDO1CCR2P2RX4PTGS1PTGS2
SCHEMBL10036738 0.86 IDO1 (0.55) IDO1P2RX4PTGS2MEN1ALDH1A1
SCHEMBL3932038 0.84 KDM4E (0.56) IDO1P2RX4PTGS1PTGS2MAPT
SCHEMBL2859999 0.84 KDM4E (0.53) P2RX4MAPTALDH1A1LMNATSHR
SCHEMBL9046095 0.83 PLA2G2A (0.46) PTGS1PTGS2MAPTMEN1RGS12
SCHEMBL2860677 0.83 P2RX4 (0.68) IDO1P2RX4MEN1ALDH1A1MAPK1
SCHEMBL3929699 0.83 IDO1 (0.60) IDO1ALDH1A1KMT2APOLBCD74
SCHEMBL5535346 0.83 IDO1 (0.54) IDO1P2RX4MAPTKMT2APOLB
SCHEMBL31019833 0.82 CCR2 (0.58) CCR2P2RX4PTGS1PTGS2MAPT
SCHEMBL4847252 0.80 PDE1B (0.47) MAPT

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 CN disclosed
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
US-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2020-07-21 US disclosed
US-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2020-07-21 US disclosed
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2019-11-14 US disclosed
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2019-11-14 US disclosed
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2019-04-23 US disclosed
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2019-04-23 US disclosed
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2018-05-17 US disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed
WO-2007146167-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-12-21 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 (6 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-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT IDO1 4098/4885CCR2 1892/4885P2RX4 4740/4885
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 IDO1 1431/4885CCR2 459/4885P2RX4 441/4885
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT IDO1 4098/4885CCR2 1892/4885P2RX4 4740/4885
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT IDO1 4098/4885CCR2 1892/4885P2RX4 4740/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB IDO1 243/4885CCR2 708/4885P2RX4 509/4885
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT IDO1 4098/4885CCR2 1892/4885P2RX4 4740/4885

“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.