SCHEMBL7601774

SCHEMBL7601774

Cc1nc(-c2ccccc2)c(C)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
KDM4E B2RXH2 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NPY5R Q15761 3/20 0.50
HPGDS O60760 1/20 0.50
SMPD3 Q9NY59 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
PIN1 Q13526 1/20 0.42

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
SCHEMBL22434857 0.83 KDM4E (0.47) HPGDKDM4ESMN1; SMN2NPY5RALDH1A1
SCHEMBL1068923 0.81 KDM4E (1.00) HPGDKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL724250 0.81 NPY5R (0.72) HPGDKDM4ESMN1; SMN2NPY5RHPGDS
SCHEMBL28019466 0.79 SMN1; SMN2 (0.44) HPGDKDM4ESMN1; SMN2NPY5RALDH1A1
SCHEMBL15676723 0.79 KDM4E (0.44) HPGDKDM4ESMN1; SMN2SMPD3CYP1A2
SCHEMBL5204729 0.79 NPY5R (0.54) HPGDKDM4ESMN1; SMN2NPY5RALDH1A1
SCHEMBL16713033 0.79 KDM4E (0.44) HPGDKDM4ESMN1; SMN2ADORA2AADORA1
SCHEMBL27758763 0.79 KDM4E (0.63) HPGDKDM4ESMN1; SMN2CYP1A2POLB
SCHEMBL12961547 0.79 KDM4E (0.63) HPGDKDM4ESMN1; SMN2CYP1A2POLB
SCHEMBL12961556 0.79 KDM4E (0.63) HPGDKDM4ESMN1; SMN2CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
CN-109069461-A The treatment method of illness relevant to marrow source property inhibition cell 洛克菲勒大学 2018-12-21 CN disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
EP-2275105-B1 Heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-05 EP disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
CN-102236259-A Radiation sensitivity resin composition for display element, interlayer insulation film, protective film and spacer and forming method thereof JSR CORP 2011-11-09 CN disclosed
EP-1499313-B1 HETEROCYCLIC DERIVATIVES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 EP disclosed
EP-2275105-A1 Heterocyclic derivatives as opioid receptor modulators Janssen Pharmaceutica NV (BE) 2011-01-19 EP disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-20070246134-A1 Phenylnaphthylimidazole Compound and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2007-10-25 US disclosed
US-20070246134-A1 Phenylnaphthylimidazole Compound and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2007-10-25 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 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 (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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 HPGD 1339/4885KDM4E 988/4885SMN1; SMN2 4322/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 HPGD 594/4885KDM4E 2893/4885SMN1; SMN2 3607/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 HPGD 1339/4885KDM4E 988/4885SMN1; SMN2 4322/4885
US-20070246134-A1 Phenylnaphthylimidazole Compound and Usage of the Same CYP1A1, CYP1A2, P4HA1 HPGD 918/4885KDM4E 2124/4885SMN1; SMN2 2576/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 HPGD 1931/4885KDM4E 1274/4885SMN1; SMN2 4245/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 HPGD 594/4885KDM4E 2893/4885SMN1; SMN2 3607/4885

“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.