Sugi Predict

Sugi Predict / Compounds / SCHEMBL1959437

SCHEMBL1959437

SCHEMBL1959437

Clc1ccc(Sc2c[nH]nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HAO1 Q9UJM8 2/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ RHEB Q15382 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL1964004 0.85 MAPK13 (0.43) NPSR1LMNAALDH1A1HAO1KMT2A
SCHEMBL12581494 0.82 NPSR1 (0.36) NPSR1LMNAALDH1A1HAO1KMT2A
SCHEMBL12552273 0.82 HAO1 (0.36) NPSR1LMNAALDH1A1HAO1KMT2A
SCHEMBL1959210 0.81 MAOA (0.57) NPSR1LMNAALDH1A1HAO1KMT2A
SCHEMBL1962700 0.79 FAAH (0.35) NPSR1LMNAALDH1A1HAO1KMT2A
SCHEMBL1961183 0.79 FAAH (0.55) FAAHKCNH2
SCHEMBL1960099 0.75 CYP2A6 (0.43) HAO1RXFP1MAPT
SCHEMBL1960591 0.75 FAAH (0.60) NPSR1LMNAALDH1A1NPC1RAB9A
SCHEMBL1961617 0.74 FAAH (0.62) NPSR1LMNAALDH1A1NPC1RAB9A
SCHEMBL12552244 0.74 FAAH (0.55) NPSR1LMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 NPSR1 395/4885LMNA 2901/4885ALDH1A1 1185/4885

“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.