SCHEMBL14947359

SCHEMBL14947359

Cc1ccc(N(CCCC#N)CCCC#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
GRIA2 P42262 1/20 0.36
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL11054024 0.88 ALDH1A1 (0.44) CYP2C19ALDH1A1SMN1; SMN2NPSR1HSD17B10
SCHEMBL3117019 0.84 TSHR (0.36) ALDH1A1HSD17B10TSHRGRIA2
SCHEMBL2005077 0.84 TSHR (0.36) ALDH1A1HSD17B10TSHRGRIA2
SCHEMBL20207409 0.81 TSHR (0.36) ALDH1A1SMN1; SMN2HSD17B10NPC1LMNA
SCHEMBL26242334 0.80 ALDH1A1 (0.44) CYP2C19ALDH1A1SMN1; SMN2NPSR1HSD17B10
SCHEMBL5556476 0.79 ALDH1A1 (0.41) CYP2C19ALDH1A1SMN1; SMN2NPSR1HSD17B10
SCHEMBL6020194 0.78 MLYCD (0.37) ALDH1A1HSD17B10TSHRGRIA2
SCHEMBL13900261 0.78 KCNN4 (0.32)
SCHEMBL14947361 0.77 CRHR1 (0.44) CYP2C19GLA
SCHEMBL14947360 0.75 GLA (0.48) CYP2C19ALDH1A1SMN1; SMN2NPSR1HSD17B10

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 CYP2C19 1025/4885ALDH1A1 2354/4885SMN1; SMN2 4148/4885

“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.