SCHEMBL14140706

SCHEMBL14140706

CN/N=C1\CCN(Cc2cccc(I)c2)C(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ SIGMAR1 Q99720 7/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL4319995 0.87 CYP2C9 (0.50) SIGMAR1MEN1KMT2AMAPTCYP2C9
SCHEMBL4319992 0.87 CYP2C9 (0.50) SIGMAR1MEN1KMT2AMAPTCYP2C9
SCHEMBL13892385 0.87 CYP2C9 (0.50) SIGMAR1MEN1KMT2AMAPTCYP2C9
SCHEMBL14047566 0.79 HTR2C (0.41) FAAHSIGMAR1HTR2CPOLBMEN1
SCHEMBL15516474 0.74 L3MBTL1 (0.58) FAAHSIGMAR1HTR2CKMT2AL3MBTL1
SCHEMBL30799059 0.72 L3MBTL1 (0.65) FAAHSIGMAR1HTR2CL3MBTL1
SCHEMBL31512198 0.71 L3MBTL1 (0.68) FAAHSIGMAR1HTR2CKMT2AL3MBTL1
SCHEMBL27165584 0.71 L3MBTL1 (0.68) FAAHSIGMAR1HTR2CKMT2AL3MBTL1
SCHEMBL30799033 0.68 CYP11B2 (0.41) FAAHSIGMAR1HTR2CPOLBMEN1
SCHEMBL27385984 0.68 CYP11B2 (0.41) FAAHSIGMAR1HTR2CPOLBMEN1

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-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 — — 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-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT FAAH 3824/4885SIGMAR1 2167/4885HTR2C 4434/4885

“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.

Send feedback