SCHEMBL14925170

SCHEMBL14925170

c1ccc2c(Cc3cc4sc(Cc5csc6ccccc56)cc4s3)csc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.56
▸ CHRNA7 P36544 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL27429824 0.79 CYP2A6 (0.56) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL7068604 0.76 CYP2A6 (0.62) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL2248829 0.72 CYP2A6 (1.00) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL18666075 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL655428 0.71 CYP2A6 (1.00) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL16398945 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL2537423 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL3113993 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL3106949 0.71 CYP2A6 (0.70) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL91157 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2

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
US-8658805-B2 Fused polyheteroaromatic compound, organic thin film including the compound, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-02-25 — — US disclosed
US-8658805-B2 Fused polyheteroaromatic compound, organic thin film including the compound, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-02-25 — — US disclosed
US-20130116447-A1 FUSED POLYHETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING THE COMPOUND, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-05-09 — — US disclosed
US-20130116447-A1 FUSED POLYHETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING THE COMPOUND, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-05-09 — — 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-20130116447-A1 FUSED POLYHETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING THE COMPOUND, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM EED, TMED7, PRDM7 CYP2A6 3104/4885CHRNA7 1248/4885SMN1; SMN2 4578/4885

“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.

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