SCHEMBL13183648

SCHEMBL13183648

Cc1cccc(Cc2cc(C(C)C)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ DAO P14920 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL13160096 0.85 SMN1; SMN2 (0.38) CYP11B1CYP11B2SMN1; SMN2RAB9ANPC1
SCHEMBL13183799 0.81 KMT2A (0.46) CYP11B1CYP11B2SMN1; SMN2RAB9ANPC1
SCHEMBL17322383 0.76 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AL3MBTL1ATMGRM5
SCHEMBL20020222 0.75 CYP11B1 (0.40) CYP11B1CYP11B2SMN1; SMN2RAB9ANPC1
SCHEMBL15932193 0.75 ALDH1A1 (0.45) CYP11B1CYP11B2SMN1; SMN2RAB9ANPC1
SCHEMBL13183570 0.72 CYP11B1 (0.43) CYP11B1CYP11B2RAB9ANPC1KMT2A
SCHEMBL7374833 0.71 TAAR1 (0.42) CYP11B1CYP11B2SMN1; SMN2RAB9ANPC1
SCHEMBL30447931 0.71 FYN (0.41) TAAR1IDO1DAOALDH1A1CYP2D6
SCHEMBL15932194 0.71 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AL3MBTL1MAPK1TDP1
SCHEMBL4505633 0.70 MAPT (0.46) CYP11B1CYP11B2RAB9ANPC1KMT2A

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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 — — WO 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CYP11B1 317/4885CYP11B2 499/4885SMN1; SMN2 3152/4885

“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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