Sugi Predict

Sugi Predict / Compounds / SCHEMBL406777

SCHEMBL406777

SCHEMBL406777

O=c1[nH]c2cc(F)c(Cl)cc2c(=O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ CFD P00746 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ MAP2 P11137 3/20 0.43
▸ MAOA P21397 9/20 0.42
▸ MAOB P27338 9/20 0.42
▸ ACHE P22303 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 1/20 0.35

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
SCHEMBL10617878 0.93 KMO (0.49) F2CFDKMOMAP2MAOA
SCHEMBL405990 0.85 F2 (0.50) F2CFDKMOMAOAMAOB
SCHEMBL3732058 0.85 KMO (0.60) F2CFDKMOMAOAMAOB
SCHEMBL3318973 0.81 F2 (0.46) F2CFDKMOMAOAMAOB
SCHEMBL25174622 0.79 MAOA (0.45) F2CFDKMOMAOAMAOB
SCHEMBL30078006 0.79 MAOA (0.45) F2CFDKMOMAOAMAOB
SCHEMBL29891464 0.79 MAOA (0.45) F2CFDKMOMAOAMAOB
SCHEMBL12420056 0.79 KMO (0.72) KMOALDH1A1TDP1LMNACYP1A2
SCHEMBL17824626 0.78 F2 (0.40) F2CFDKMOMAOAMAOB
SCHEMBL1203107 0.76 KMO (0.49) F2CFDKMOMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 F2 872/4885CFD 1315/4885KMO 483/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 F2 872/4885CFD 1315/4885KMO 483/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 F2 872/4885CFD 1315/4885KMO 483/4885

“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.