SCHEMBL12533353

SCHEMBL12533353

CC(C)c1ccc(N)c(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 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
SCHEMBL23432951 0.82 EIF4A3 (0.36) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20223454 0.80 EIF4A3 (0.35) LMNACYP1A2CYP3A4HTTALOX5AP
SCHEMBL21852127 0.80 ALDH1A1 (0.35) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21191253 0.78 GABRA1 (0.37) LMNATP53HTTGABRA1GABRB1
SCHEMBL12534165 0.78 LMNA (0.33) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15012977 0.77 ALOX5AP (0.34) LMNACYP3A4TP53ALOX5APFEN1
SCHEMBL10592381 0.77 FAAH (0.33) LMNACYP1A2CYP3A4ALOX5APFEN1
SCHEMBL12604300 0.77 LMNA (0.35) LMNAGABRA1GABRB1
SCHEMBL12533352 0.75 P2RX7 (0.31) GABRA1GABRB1
SCHEMBL27317473 0.74 GABRA1 (0.42) LMNACYP1A2CYP3A4CYP2D6NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — 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-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E LMNA 2685/4885CYP1A2 1818/4885CYP3A4 786/4885

“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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