SCHEMBL20360705

SCHEMBL20360705

c1ccc(-c2cccc(-c3ccccc3)c2N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.44
RECQL P46063 2/20 0.44
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
CDC7 O00311 1/20 0.43
ROS1 P08922 1/20 0.43
KIT P10721 1/20 0.43
MARK3 P27448 1/20 0.43
FLT3 P36888 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K1 Q02750 1/20 0.43
MAP3K10 Q02779 1/20 0.43

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
SCHEMBL20360396 0.98 ALDH1A1 (0.46) PRKDCALDH1A1KDM4EL3MBTL1TDP1
Hydrochloric Acid SCHEMBL15329342 0.81 HTR7 (0.44) ALDH1A1KDM4ETDP1TSHRRECQL
SCHEMBL5487538 0.79 HTR7 (0.41) PRKDCALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL13039956 0.79 HTR7 (0.67) PRKDCALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL27876080 0.79 HTR7 (0.67) PRKDCALDH1A1KDM4EL3MBTL1TDP1
Hydrochloric Acid SCHEMBL27892728 0.78 HTR7 (0.65) PRKDCALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL5352962 0.77 HTR7 (0.69) ALDH1A1KDM4EL3MBTL1TDP1TSHR
SCHEMBL28618211 0.73 KDM4E (0.41) PRKDCALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL16814931 0.72 KEAP1 (0.46) PRKDCALDH1A1KDM4EL3MBTL1HTR1A
N-Methylpiperidine SCHEMBL28957034 0.71 TSHR (0.49) ALDH1A1KDM4ETSHRRECQLHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194775-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-12 US claimed

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-20180194775-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES SSTR2, SSTR1, SSTR3 PRKDC 4436/4885ALDH1A1 3249/4885KDM4E 4642/4885

“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.