SCHEMBL6635358

SCHEMBL6635358

NCc1ccc(O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.52
CSNK2A1 P68400 6/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABAT P80404 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
PNMT P11086 1/20 0.45
ENPP2 Q13822 1/20 0.45
HSD17B2 P37059 1/20 0.44
DBH P09172 1/20 0.44

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
Hydrochloric Acid SCHEMBL2942246 0.98 CA2 (0.55) CA2CA1CSNK2A1HSD17B10TSHR
Bromide SCHEMBL1469280 0.98 CA2 (0.55) CA2CA1CSNK2A1HSD17B10TSHR
SCHEMBL1466961 0.83 TAAR1 (0.67) CA2CA1HSD17B10TSHRCYP1A2
SCHEMBL13343744 0.82 TDP1 (0.50) CSNK2A1HSD17B10TSHRCYP3A4CYP2D6
SCHEMBL71042 0.81 HSD17B10 (0.63) CA2CA1HSD17B10TSHRCYP1A2
SCHEMBL9773533 0.81 CA2 (0.61) CA2CA1HSD17B10TSHRCYP1A2
Hydrochloric Acid SCHEMBL2386540 0.81 MAPK1 (0.68) CA2CA1HSD17B10TSHRCYP2D6
Bromide SCHEMBL1468106 0.81 TAAR1 (0.64) CA2CA1HSD17B10TSHRCYP1A2
Hydrochloric Acid SCHEMBL3564510 0.80 TDP1 (0.48) CSNK2A1HSD17B10TSHRCYP3A4CYP2D6
SCHEMBL507053 0.79 CA2 (0.59) CA2CA1HSD17B10TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1636998-A Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2005-07-13 CN claimed
EP-1280792-B1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2004-07-14 EP claimed
US-6723848-B2 TETRAHYDROBENZOFURAN OR TETRAHYDROBENZOTHIOPHEN OR TETRAHDYROBENZOPYRROLE COMPOUNDS CAN BE AROMATIZED WITH A HYDROGENATION CATALYST IN PRESENCE OF A HYDROGEN ACCEPTOR, DEACYLATION OF AMINO GROUP BY ADDITION OF AN AMINE GROUP MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-04-20 US claimed
CN-1422265-A Process for producing benzo-fused heterocycle MERCK PATENT GMBH (DE) 2003-06-04 CN claimed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 US claimed
EP-1280792-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GmbH (DE) 2003-02-05 EP claimed
WO-2001077099-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2001-10-18 WO claimed
CN-105473583-A Bicyclyl-substituted isothiazoline compounds BASF SE 2016-04-06 CN disclosed
CN-104968666-A Macrocyclic molecules as HCV entry inhibitors BRISTOL MYERS SQUIBB CO 2015-10-07 CN disclosed
CN-1993346-B Thiophene compound ACTELION PHARMACEUTICALS LTD 2011-04-27 CN disclosed
CN-1993346-A Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-07-04 CN disclosed
CN-1214023-C Process for producing benzo-fused heterocycle MERCK PATENT GMBH (DE) 2005-08-10 CN disclosed
CN-1636998-A Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2005-07-13 CN disclosed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 US disclosed
EP-1280792-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GmbH (DE) 2003-02-05 EP disclosed
CN-1355805-A Thienopyrimidines compound MERCK PATENT GMBH (DE) 2002-06-26 CN disclosed
EP-1189907-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 2002-03-27 EP disclosed
WO-2001077099-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2001-10-18 WO disclosed
WO-2000078767-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2000-12-28 WO disclosed
US-4526962-A Cephalosporin derivatives RHONE-POULENC SANTE (FR) 1985-07-02 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-20030078422-A1 Method for producing benzo annelated heterocycles NAT1, AFF1, SAT1 CA2 1257/4885CA1 765/4885CSNK2A1 1340/4885

“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.