SCHEMBL14947438

SCHEMBL14947438

CCc1ccc(C(=O)NCCCN(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.58
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
TMEM97 Q5BJF2 4/20 0.55
SIGMAR1 Q99720 4/20 0.55
ALDH1A1 P00352 3/20 0.55
PLK1 P53350 1/20 0.53
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NAMPT P43490 1/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
AGTR1 P30556 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HDAC3 O15379 1/20 0.51

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
SCHEMBL15892524 0.93 HPGD (0.59) HPGDSMN1; SMN2THRATHRBTMEM97
SCHEMBL10076245 0.90 ALDH1A1 (0.66) HPGDSMN1; SMN2THRATHRBTMEM97
SCHEMBL10020214 0.90 HPGD (0.79) HPGDSMN1; SMN2THRATHRBTMEM97
SCHEMBL18667945 0.85 POLB (0.64) TMEM97SIGMAR1ALDH1A1PLK1NPC1
SCHEMBL8411545 0.84 HPGD (0.70) HPGDSMN1; SMN2THRATHRBTMEM97
SCHEMBL2120449 0.84 HPGD (0.70) HPGDSMN1; SMN2THRATHRBALDH1A1
SCHEMBL7507397 0.84 PPARA (0.52) HPGDSMN1; SMN2TMEM97SIGMAR1ALDH1A1
SCHEMBL23840600 0.84 HPGD (0.62) HPGDSMN1; SMN2THRATHRBTMEM97
SCHEMBL6359262 0.83 L3MBTL1 (0.63) SMN1; SMN2ALDH1A1PLK1KDM4ENPC1
SCHEMBL13060861 0.83 BCL2 (0.56) HPGDSMN1; SMN2TMEM97SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A HPGD 2186/4885SMN1; SMN2 2561/4885THRA 3467/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A HPGD 274/4885SMN1; SMN2 1192/4885THRA 2089/4885

“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.