SCHEMBL14826375

SCHEMBL14826375

COc1ccccc1C(CC(=O)Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.73
▸ HTT P42858 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ CRHBP P24387 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ CRHR2 Q13324 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ GAA P10253 2/20 0.67
▸ ALDH1A1 P00352 6/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HPGD P15428 1/20 0.57
▸ FNTA P49354 2/20 0.55
▸ FNTB P49356 2/20 0.55
▸ KLK7 P49862 2/20 0.54

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
SCHEMBL14826369 0.85 LMNA (1.00) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL10951751 0.80 LMNA (1.00) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL9222644 0.77 POLB (0.55) LMNAHTTKMT2AMEN1CRHBP
SCHEMBL17755053 0.77 LMNA (0.55) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL10952227 0.75 LMNA (0.72) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL14678302 0.75 L3MBTL1 (0.53) LMNAHTTKMT2ACYP1A2CYP2C19
SCHEMBL9225768 0.73 ALDH1A1 (0.49) LMNAHTTKMT2AMEN1CRHBP
SCHEMBL10954976 0.72 LMNA (0.68) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL10946494 0.72 MEN1 (0.80) LMNAHTTKMT2AMEN1CYP1A2
SCHEMBL13479950 0.72 KLK7 (0.54) LMNAHTTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10561666-B2 Amido compounds as RORγt modulators and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 — — US disclosed
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2017-03-09 — — US disclosed
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2017-03-09 — — US disclosed
US-9492439-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-11-15 — — US disclosed
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-04-04 — — 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 (3 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-10561666-B2 Amido compounds as RORγt modulators and uses thereof RORB, RORA, RORC LMNA 4213/4885HTT 3267/4885KMT2A 2102/4885
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF RORB, RORA, RORC LMNA 3482/4885HTT 3917/4885KMT2A 3677/4885
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORB, RORA, RORC LMNA 3482/4885HTT 3917/4885KMT2A 3677/4885

“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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