SCHEMBL14947360

SCHEMBL14947360

Cc1ccc(N(CC#N)CC#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
CYP2A6 P11509 1/20 0.41
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PYCR1 P32322 1/20 0.34
CNR2 P34972 3/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL14947361 0.83 CRHR1 (0.44) GLACYP2C19CNR2
SCHEMBL6675221 0.80 GLA (0.47) GLACYP2C19ALDH1A1TSHRCYP2A6
SCHEMBL11054024 0.78 ALDH1A1 (0.44) GLACYP2C19ALDH1A1TSHRCYP2A6
SCHEMBL15004992 0.78 GLA (0.41) GLAALDH1A1TSHRTDP1KDM4E
SCHEMBL31327481 0.77 CA12 (0.53) CYP2C19ALDH1A1TSHRACHETDP1
SCHEMBL9335759 0.76 MAOB (0.41) CYP2C19ALDH1A1TSHRNPSR1HSD17B10
SCHEMBL14947359 0.75 CYP2C19 (0.40) GLACYP2C19ALDH1A1TSHRCYP2A6
SCHEMBL5556476 0.74 ALDH1A1 (0.41) CYP2C19ALDH1A1TSHRTDP1KDM4E
Nitrogen SCHEMBL28319979 0.71 ALDH1A1 (0.56) CYP2C19ALDH1A1TSHRTDP1KDM4E
SCHEMBL26242334 0.71 ALDH1A1 (0.44) CYP2C19ALDH1A1TSHRACHETDP1

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-20130118570-A1 DYE FOR PHOTOELECTRIC CONVERSION, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND NOVEL PYRROLINE-BASED COMPOUND NEC CORPORATION (JP) 2013-05-16 US disclosed
US-20130118570-A1 DYE FOR PHOTOELECTRIC CONVERSION, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND NOVEL PYRROLINE-BASED COMPOUND NEC CORPORATION (JP) 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 (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-20130118570-A1 DYE FOR PHOTOELECTRIC CONVERSION, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND NOVEL PYRROLINE-BASED COMPOUND SCO2, PYCR1, CRY1 GLA 3460/4885CYP2C19 1025/4885ALDH1A1 2354/4885

“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.