SCHEMBL669068

SCHEMBL669068

Cc1c(Cl)ccc(C(C)C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 4/20 0.36
CYP3A4 P08684 4/20 0.36
PNMT P11086 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.35
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
TSHR P16473 2/20 0.32
PIK3CA P42336 1/20 0.32
PDE2A O00408 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 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
SCHEMBL6406061 0.83 LMNA (0.36) ALDH1A1LMNACYP3A4PNMTCYP1A2
SCHEMBL19998489 0.81 LMNA (0.38) LMNACYP3A4CYP1A2TRPA1CHRM1
SCHEMBL10341249 0.80 TSHR (0.37) ALDH1A1LMNACYP3A4PNMTCYP1A2
SCHEMBL13038361 0.79 LMNA (0.39) ALDH1A1LMNACYP3A4PNMTCYP1A2
SCHEMBL10341257 0.78 LMNA (0.36) ALDH1A1LMNACYP3A4PNMTCYP1A2
SCHEMBL12992602 0.77 LMNA (0.38) ALDH1A1LMNACYP3A4PNMTCYP1A2
SCHEMBL117623 0.77 CYP3A4 (0.40) ALDH1A1LMNACYP3A4CYP1A2TP53
SCHEMBL10083916 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2TP53TSHR
SCHEMBL9879909 0.75 GABRA1 (0.39) ALDH1A1LMNACYP3A4CYP1A2TP53
SCHEMBL20668552 0.74 LMNA (0.35) ALDH1A1LMNATP53HTTTRPA1

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 7 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
US-4950792-A CHAIN LENGTHENING, CROSSLINKING AGENT FOR POLYURETHANES LONZA LTD. (CH) 1990-08-21 US disclosed
EP-0220641-B1 SUBSTITUTED P,P'-METHYLENE-BIS-ANILINES LONZA AG (CH) 1990-02-28 EP disclosed
EP-0220641-A1 Substituted p,p'-methylene-bis-anilines LONZA AG (CH) 1987-05-06 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-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES CLIC4, CLIC1, NPM1 ALDH1A1 2408/4885LMNA 4483/4885CYP3A4 54/4885

“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.