SCHEMBL19865692

SCHEMBL19865692

CCCC(C)NCc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP2A6 P11509 1/20 0.48
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.41
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
MEN1 O00255 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
SCHEMBL19954266 0.81 GLA (0.48) CYP19A1BCHESLC6A3SIGMAR1ALDH1A1
SCHEMBL2575793 0.80 LOXL2 (0.64) LOXL2CYP2A6CYP19A1TSHRHSD17B10
SCHEMBL20824910 0.79 SMN1; SMN2 (0.50) HSD17B10BCHESIGMAR1KCNH2TMEM97
SCHEMBL9127520 0.77 KCNH2 (0.59) BCHESLC6A3SIGMAR1KCNH2TMEM97
SCHEMBL21799832 0.77 SIGMAR1 (0.43) BCHESIGMAR1KCNH2TMEM97ALDH1A1
SCHEMBL172531 0.77 SIGMAR1 (0.66) BCHESIGMAR1KDM4E
Hydrochloric Acid SCHEMBL27619587 0.75 SIGMAR1 (0.63) BCHESIGMAR1KDM4EMEN1KMT2A
SCHEMBL25588023 0.75 ALDH1A1 (0.44) TSHRBCHESIGMAR1KCNH2TMEM97
SCHEMBL172666 0.75 MEN1 (0.61) BCHEALDH1A1MEN1KMT2A
SCHEMBL25588047 0.75 MEN1 (0.61) BCHEALDH1A1MEN1KMT2A

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A LOXL2 3377/4885CYP2A6 1879/4885CYP19A1 427/4885

“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.