SCHEMBL4178002

SCHEMBL4178002

Nc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
PLAU P00749 4/20 0.47
PRKCI P41743 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 2/20 0.43
PLG P00747 2/20 0.41
NTSR1 P30989 1/20 0.41
NR1I2 O75469 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2B P41595 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4191411 0.88 HTR6 (0.49) HTR6PLAUPOLBNPSR1EGFR
SCHEMBL30241534 0.80 HTR6 (0.66) HTR6PLAUPRKCIEGFRPLG
SCHEMBL2769024 0.80 HTR6 (0.66) HTR6PLAUPRKCIEGFRPLG
SCHEMBL14854852 0.79 EGFR (0.62) HTR6PLAUEGFRPLGNR1I2
SCHEMBL6085181 0.79 HTR6 (0.56) HTR6PLAUPOLBNPSR1HTR2A
SCHEMBL28576841 0.77 SLC22A12 (0.50) PLAUPLG
SCHEMBL23902735 0.75 HTR6 (0.63) HTR6PLAUPLGNTSR1NPC1
SCHEMBL30364639 0.75 HTR6 (0.63) HTR6PLAUPLGNTSR1NPC1
SCHEMBL4200647 0.74 SLC2A1 (0.58) HTR6PLAUPLGHTR2CTAAR1
SCHEMBL30364700 0.74 SLC2A1 (0.58) HTR6PLAUPLGHTR2CTAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 EP 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 HTR6 75/4885PLAU 2473/4885PRKCI 3264/4885

“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.