SCHEMBL17026201

SCHEMBL17026201

COC(=O)c1cccc(-c2c(Cl)cnn2C)c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.45
HTR2C P28335 6/20 0.45
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPBWR1 P48145 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPRC P08575 1/20 0.37

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
SCHEMBL17026307 0.85 ALDH1A1 (0.41) HTR2AHTR2CALDH1A1KDM4ECYP1A2
SCHEMBL18435695 0.80 CYP1A2 (0.44) HTR2AHTR2CSLC6A4SLC6A3ALDH1A1
SCHEMBL14495185 0.77 SLC6A4 (0.44) HTR2AHTR2CSLC6A4SLC6A3ALDH1A1
SCHEMBL16046025 0.76 CYP1A2 (0.47) SLC6A4SLC6A3ALDH1A1KDM4ECYP1A2
SCHEMBL19849652 0.75 TSHR (0.53) SLC6A4SLC6A3ALDH1A1KDM4EMAPT
SCHEMBL29634134 0.75 TSHR (0.53) SLC6A4SLC6A3ALDH1A1KDM4EMAPT
SCHEMBL18420273 0.75 CYP1A2 (0.42) HTR2AHTR2CSLC6A4SLC6A3ALDH1A1
SCHEMBL16496460 0.75 HTR2A (0.43) HTR2AHTR2CALDH1A1KDM4EGAA
SCHEMBL16962654 0.75 KDM4E (0.41) HTR2AHTR2CSLC6A4SLC6A3ALDH1A1
SCHEMBL16963492 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EGAANPBWR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 US disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 US disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 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 (2 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-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, H1-0, H1-2 HTR2A 139/4885HTR2C 341/4885SLC6A4 1265/4885
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, HRH4, H1-0 HTR2A 146/4885HTR2C 352/4885SLC6A4 1470/4885

“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.