SCHEMBL1980314

SCHEMBL1980314

CC(C)n1c(N)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.57
NOS2 P35228 1/20 0.57
RPS6KB1 P23443 1/20 0.56
GSK3B P49841 1/20 0.56
ROCK1 Q13464 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TSHR P16473 4/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
Bromide SCHEMBL1982279 0.98 HSD17B10 (0.56) HSD17B10NOS2RPS6KB1GSK3BROCK1
SCHEMBL7847984 0.90 NOS2 (0.55) HSD17B10NOS2RPS6KB1GSK3BROCK1
SCHEMBL4581651 0.84 NOS2 (0.49) HSD17B10NOS2RPS6KB1GSK3BROCK1
SCHEMBL21310919 0.84 KDM4E (0.57) NOS2RPS6KB1GSK3BROCK1CYP1A2
SCHEMBL4581653 0.84 NOS2 (0.49) HSD17B10NOS2RPS6KB1GSK3BROCK1
SCHEMBL6930941 0.84 CYP1A2 (0.51) HSD17B10NOS2RPS6KB1GSK3BROCK1
Hydrochloric Acid SCHEMBL6934110 0.83 CYP1A2 (0.50) HSD17B10NOS2RPS6KB1GSK3BROCK1
SCHEMBL30319490 0.82 NOS2 (0.55) NOS2CYP1A2CYP2D6HTTKDM4E
SCHEMBL7847769 0.82 HTT (0.57) NOS2CYP1A2CYP2D6HTTALDH1A1
SCHEMBL8564481 0.80 CYP1A2 (0.55) NOS2RPS6KB1GSK3BROCK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO claimed
CN-110869360-B Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2023-12-15 CN disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
EP-3652164-B1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2023-06-21 EP disclosed
WO-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 WO disclosed
US-11306081-B2 Phenylacetamides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-19 US disclosed
US-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
EP-3652164-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2020-05-20 EP disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
EP-2509979-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 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-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 HSD17B10 3452/4885NOS2 75/4885RPS6KB1 2444/4885
US-11306081-B2 Phenylacetamides as inhibitors of rock MYLK, ROCK1, ROCK2 HSD17B10 3452/4885NOS2 75/4885RPS6KB1 2444/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HSD17B10 1827/4885NOS2 4467/4885RPS6KB1 583/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH HSD17B10 1781/4885NOS2 967/4885RPS6KB1 685/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH HSD17B10 1781/4885NOS2 967/4885RPS6KB1 685/4885

“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.