SCHEMBL8802148

SCHEMBL8802148

CC#Cc1cc(OC)ccc1NC(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CASP2 P42575 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9525258 0.81 ALDH1A1 (0.56) ALDH1A1CASP2SMN1; SMN2HTTMAPT
SCHEMBL17536233 0.79 ALDH1A1 (0.67) ALDH1A1CASP2SMN1; SMN2HTTMAPT
SCHEMBL1494291 0.79 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL1494383 0.79 ALDH1A1 (0.56) ALDH1A1CASP2SMN1; SMN2HTTMAPT
SCHEMBL18485622 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKMT2ANPSR1
SCHEMBL6939799 0.76 P2RX7 (0.59) ALDH1A1CASP2SMN1; SMN2HTTMAPT
SCHEMBL3757797 0.76 KMT2A (0.73) ALDH1A1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL30021051 0.76 TDP1 (0.61) ALDH1A1CASP2SMN1; SMN2HTTMAPT
SCHEMBL10895905 0.75 AKR1C3 (0.59) ALDH1A1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL22897585 0.74 ALDH1A1 (0.51) ALDH1A1CASP2SMN1; SMN2HTTMAPT

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-20130237530-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
WO-2012068149-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2012-05-24 WO 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-20130237530-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GABRA3, GABRB3 ALDH1A1 2236/4885CASP2 2425/4885SMN1; SMN2 3677/4885

“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.