SCHEMBL27429824

SCHEMBL27429824

c1csc(Cc2csc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.56
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CHRNA7 P36544 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39

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
SCHEMBL14925170 0.79 CYP2A6 (0.56) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL30505689 0.76 CYP2C9 (0.50) POLBHPGDSMN1; SMN2CYP2C9KDM4E
SCHEMBL7068604 0.76 CYP2A6 (0.62) CYP2A6POLBCHRNA7SMN1; SMN2CRHBP
SCHEMBL11722905 0.74 CYP2C19 (0.51) CYP2A6POLBHPGDSMN1; SMN2CA1
SCHEMBL6755235 0.73 HPGD (0.55) POLBHPGDSMN1; SMN2CYP2C9MAPT
SCHEMBL2248829 0.72 CYP2A6 (1.00) CYP2A6POLBCHRNA7SMN1; SMN2CRHBP
SCHEMBL15274411 0.72 CYP2C9 (0.47) CYP2A6POLBHPGDSMN1; SMN2CYP2C9
SCHEMBL2537423 0.71 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL16398945 0.71 CYP2A6 (0.67) CYP2A6POLBCHRNA7SMN1; SMN2CRHBP
SCHEMBL3113993 0.71 CYP2A6 (0.67) CYP2A6POLBCHRNA7SMN1; SMN2CRHBP

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-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders Smilebiotek Zhuhai Limited (CN) 2024-06-25 — — 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-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders MB, MYOC, PDE6A CYP2A6 4171/4885POLB 1185/4885HPGD 847/4885

“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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