SCHEMBL671144

SCHEMBL671144

C=CCc1cc(Cl)cc(CC=C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
AKR1B1 P15121 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 2/20 0.31
PRMT1 Q99873 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1865361 0.81 GABRA1 (0.48) GABRA1GABRB2CYP3A4MAPTAKR1B1
SCHEMBL8977878 0.80 ALDH1A1 (0.47) PTGDRPTGDR2CYP3A4TP53MAPT
SCHEMBL9399710 0.79 GABRA1 (0.38) GABRA1GABRB2CYP3A4MAPTPOLB
Methane SCHEMBL28151881 0.79 GABRA1 (0.47) GABRA1GABRB2CYP3A4MAPTAKR1B1
SCHEMBL2162708 0.79 XDH (0.39) GABRA1GABRB2CYP3A4TP53MAPT
SCHEMBL9721939 0.77 GABRA1 (0.45) GABRA1GABRB2MAPTKDM4EAKR1B1
SCHEMBL467130 0.77 DHFR (0.39) GABRA1GABRB2CYP3A4MAPTKDM4E
SCHEMBL20681220 0.77 GABRA1 (0.36) GABRA1GABRB2CYP3A4POLBALDH1A1
SCHEMBL10410485 0.77 GABRA1 (0.36) GABRA1GABRB2MAPTLMNAPOLB
SCHEMBL9399475 0.77 GABRA1 (0.36) GABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 US claimed
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
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 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 4441/4885GABRA1 644/4885

“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.