SCHEMBL10144617

SCHEMBL10144617

CCc1c[n+](O)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CHAT P28329 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CTBP2 P56545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SHBG P04278 1/20 0.30

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
SCHEMBL12134194 0.78 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EPOLB
SCHEMBL10256796 0.76 CHAT (0.47) CHAT
SCHEMBL12132102 0.74 CCR9 (0.35) —
Bromide SCHEMBL11424419 0.74 CHAT (0.46) CHAT
SCHEMBL19458284 0.74 CHRNA7 (0.34) —
Iodide SCHEMBL11591341 0.74 CHAT (0.46) CHAT
SCHEMBL10272141 0.74 — —
SCHEMBL8628348 0.72 TP53 (0.33) ALDH1A1TP53CHATHPGD
SCHEMBL10764076 0.71 CA2 (0.35) ALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL10670016 0.69 ALDH1A1 (0.50) ALDH1A1TP53KDM4E

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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 — — 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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ALDH1A1 2339/4885GABRA1 730/4885GABRB2 678/4885

“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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