SCHEMBL9639726

SCHEMBL9639726

Clc1ccc(NCCNc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.47
CYP2A6 P11509 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 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
SCHEMBL11528235 0.90 MAPT (0.58) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11526668 0.88 MAPT (0.77) MAPTMEN1KMT2AGAALMNA
SCHEMBL1947326 0.87 MEN1 (0.47) MAPTMEN1KMT2AGAALMNA
SCHEMBL3029679 0.87 MEN1 (0.47) MAPTMEN1KMT2AGAALMNA
SCHEMBL21242322 0.86 MAPT (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL11348193 0.86 STK17A (0.55) MAPTMEN1KMT2AALDH1A1RHOC
SCHEMBL656024 0.85 STK17A (0.50) MAPTMEN1KMT2AGAACYP1A2
SCHEMBL4155501 0.85 MEN1 (0.46) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL1801536 0.85 NR1I2 (0.56) MAPTMEN1KMT2AGAALMNA
SCHEMBL296404 0.85 HPGD (0.46) MAPTMEN1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 US claimed
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 US disclosed
EP-0280373-B1 PROCESS FOR THE DIMERIZATION OF OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-08-12 EP disclosed
US-4859646-A Process for the dimerization of olefins SHELL OIL COMPANY (US) 1989-08-22 US disclosed
US-4806647-A PALLADIUM(II) COMPOUND, CHELATE LIGAND, PROTONIC ACID AND SALT SHELL OIL COMPANY (US) 1989-02-21 US disclosed
EP-0170311-B1 PROCESS FOR THE DIMERIZATION OF OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-02-01 EP disclosed
US-4692548-A DIMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL OIL COMPANY (US) 1987-09-08 US disclosed
US-4634793-A PALLADIUM CATALYST SYSTEM SHELL OIL COMPANY (US) 1987-01-06 US disclosed
EP-0206367-A2 Process for the dimerization of ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-12-30 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-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT SARS1, ZC3HAV1, ZC3HAV1L MAPT 4702/4885MEN1 4555/4885KMT2A 3615/4885

“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.