Sugi Predict

Sugi Predict / Compounds / SCHEMBL7996799

SCHEMBL7996799

SCHEMBL7996799

O=[N+]([O-])Cc1cc(F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ ARNT P27540 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ S1PR4 O95977 1/20 0.36

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
SCHEMBL3018147 0.85 ALDH1A1 (0.49) TDP1ATMALDH1A1SMN1; SMN2HTT
SCHEMBL3030220 0.81 ATM (0.47) TDP1ATMALDH1A1HTTPSEN1
SCHEMBL5462325 0.81 TSHR (0.47) TDP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL3019164 0.77 ATM (0.52) TDP1ATMSMN1; SMN2HTR2AKCNH2
SCHEMBL5404811 0.74 KCNH2 (0.56) ATMALDH1A1L3MBTL1PSEN1PSEN2
SCHEMBL10365787 0.74 HTR2A (0.42) ATMALDH1A1PSEN1PSEN2APH1B
SCHEMBL10487799 0.74 TSHR (0.52) TDP1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL28754126 0.74 DCLRE1B (0.43) TDP1ATMALDH1A1HTTLMNA
SCHEMBL302713 0.72 MAPT (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL3027815 0.72 MAPT (0.47) TDP1ALDH1A1SMN1; SMN2HTTPSEN1

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-8541427-B2 Phenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use Merck, Sharp & Dohme, Corp. (US) 2013-09-24 — — US disclosed
US-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
US-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
WO-2009131975-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2009-10-29 — — 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-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, PSEN1, APP TDP1 205/4885ATM 3162/4885ALDH1A1 806/4885

“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.