SCHEMBL3197293

SCHEMBL3197293

COc1cc(N2CCN(CCCCN)CC2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
SLC29A1 Q99808 5/20 0.50
KCNH2 Q12809 2/20 0.49
CYP2D6 P10635 2/20 0.48
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ABCC4 O15439 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN1A P35498 1/20 0.45

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
SCHEMBL3196772 0.84 HSD17B10 (0.62) HSD17B10KCNH2CYP2D6HTR1A
Hydrochloric Acid SCHEMBL3188909 0.83 HSD17B10 (0.60) HSD17B10KCNH2CYP2D6HTR2AHTR1A
SCHEMBL3196645 0.82 HSD17B10 (0.71) HSD17B10KCNH2CYP2D6HTR2AHTR1A
SCHEMBL3197277 0.82 SLC29A1 (0.54) SLC29A1KCNH2CYP2D6LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3194761 0.81 HSD17B10 (0.69) HSD17B10KCNH2CYP2D6HTR2AHTR1A
SCHEMBL3186225 0.77 HSD17B10 (0.91) HSD17B10KCNH2CYP2D6MEN1KMT2A
SCHEMBL3198597 0.76 KCNH2 (0.84) HSD17B10KCNH2CYP2D6HTR2AHTR2B
SCHEMBL30873546 0.76 KCNH2 (0.84) HSD17B10KCNH2CYP2D6HTR2AHTR2B
SCHEMBL11179651 0.76 USP2 (0.69) HSD17B10LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11347208 0.75 HSD17B10 (0.89) HSD17B10KCNH2CYP2D6MEN1KMT2A

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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 HSD17B10 1343/4885SLC29A1 4087/4885KCNH2 1015/4885

“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.