SCHEMBL12365545

SCHEMBL12365545

Cc1cc(C=O)c2c(Cl)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ APEX1 P27695 1/20 0.31

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
SCHEMBL12537647 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1
SCHEMBL12537593 0.81 ERN1 (0.31) —
SCHEMBL14537332 0.81 CYP1A2 (0.32) CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL22055531 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EPKMHTT
SCHEMBL12365549 0.77 POLB (0.38) ALDH1A1SMN1; SMN2LMNAKDM4ENSD2
SCHEMBL12365587 0.77 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL12365658 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNA
SCHEMBL12365566 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBHTT
SCHEMBL12365527 0.75 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL12365550 0.74 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19CYP3A4SMN1; SMN2

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-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 — — US disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — 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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 2126/4885CYP1A2 3500/4885CYP2C19 3160/4885

“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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