SCHEMBL873906

SCHEMBL873906

O=c1[nH]c(-c2cccc(O)c2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.71
TNKS2 Q9H2K2 8/20 0.71
PARP1 P09874 5/20 0.71
GUSB P08236 8/20 0.71
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
CYP1A1 P04798 3/20 0.61
CYP1B1 Q16678 3/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
PARP2 Q9UGN5 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TOP2A P11388 1/20 0.58
TOP2B Q02880 1/20 0.58

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
SCHEMBL8620410 0.89 TNKS (0.83) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL15689534 0.88 TNKS (0.75) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL16768506 0.86 TNKS (0.78) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL29592833 0.84 TNKS (1.00) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL258433 0.84 TNKS (1.00) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL2006170 0.83 TNKS (1.00) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL29900584 0.83 TNKS (1.00) TNKSTNKS2PARP1GUSBNPC1
Hydrochloric Acid SCHEMBL31529601 0.82 TNKS (0.96) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL16007672 0.82 GUSB (1.00) TNKSTNKS2PARP1GUSBNPC1
SCHEMBL11821683 0.82 TNKS (0.71) TNKSTNKS2PARP1GUSBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187697-A1 PROCESS FOR THE PREPARATION OF BELUMOSUDIL MESYLATE AND ITS CRYSTALLINE FORM GLENMARK LIFE SCIENCES LIMITED (IN) 2023-10-05 WO disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 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 (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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TNKS 868/4885TNKS2 197/4885PARP1 1183/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TNKS 868/4885TNKS2 197/4885PARP1 1183/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TNKS 868/4885TNKS2 197/4885PARP1 1183/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 TNKS 868/4885TNKS2 197/4885PARP1 1183/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 TNKS 868/4885TNKS2 197/4885PARP1 1183/4885

“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.