SCHEMBL670463

SCHEMBL670463

C=CCc1ccc(Cl)c(CC=C)c1N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
IMPDH2 P12268 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9261804 0.80 IMPDH2 (0.45) IMPDH2GABRA1GABRB2POLB
SCHEMBL10480235 0.77 GABRA1 (0.48) ALDH1A1MAPTGABRA1GABRB2POLB
SCHEMBL10696450 0.77 ALDH1A1 (0.31) ALDH1A1MAPTTDP1GABRA1GABRB2
SCHEMBL11196023 0.76 GABRA1 (0.32) MAPTGABRA1GABRB2POLBSMN1; SMN2
SCHEMBL28789107 0.73 GABRA1 (0.38) MAPTIMPDH2GABRA1GABRB2POLB
SCHEMBL9792845 0.73 CYP3A4 (0.32) ALDH1A1MAPTTDP1IMPDH2SMN1; SMN2
SCHEMBL1415804 0.72 IMPDH2 (0.41) IMPDH2GABRA1GABRB2POLB
SCHEMBL20819282 0.72 CYP3A4 (0.48) PTGDRPTGDR2ALDH1A1MAPTTDP1
SCHEMBL10588572 0.72 ALDH1A1 (0.36) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL1918099 0.71 GABRA1 (0.43) ALDH1A1MAPTIMPDH2GABRA1GABRB2

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-9193667-B2 Process for the selective meta-chlorination of alkylanilines LONZA LTD. (CH) 2015-11-24 US disclosed
US-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD. (CH) 2013-12-19 US disclosed
EP-2606028-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES Lonza Ltd (CH) 2013-06-26 EP disclosed
WO-2012022460-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD (CH) 2012-02-23 WO disclosed
EP-0310732-B1 PROCESS FOR THE PREPARATION OF N-ACYL-N-ALKYL-2,6-DIALKYL-3-CHLOROANILINES CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed
EP-0310732-A1 Process for the preparation of N-acyl-N-alkyl-2,6-dialkyl-3-chloroanilines CIBA-GEIGY AG (CH) 1989-04-12 EP disclosed
EP-0284555-A1 Process for the preparation of N-acyl-N-(oxazoliden-2-on-3-yl)-2,6-dialkyl-3-chloroanilines CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed
US-4721797-A Process for the preparation of N-acyl-N-alkyl-2,6-dialkyl-3-chloroanilines CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 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-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES CLIC4, CLIC1, NPM1 PTGDR 4154/4885PTGDR2 4441/4885ALDH1A1 2408/4885

“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.