SCHEMBL16727135

SCHEMBL16727135

Cc1cc([N+](=O)[O-])c(/C=C/N(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 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
SCHEMBL6616923 0.89 PTGS2 (0.40) MAPTPTGS2ALDH1A1TDP1HTT
SCHEMBL6616919 0.89 PTGS2 (0.40) MAPTPTGS2ALDH1A1TDP1HTT
SCHEMBL15592640 0.89 MAPT (0.41) MAPTPTGS2CYP1A2ALDH1A1TDP1
SCHEMBL394822 0.87 VCAM1 (0.41) MAPTPTGS2ALDH1A1TDP1HTT
SCHEMBL394821 0.87 VCAM1 (0.41) MAPTPTGS2ALDH1A1TDP1HTT
SCHEMBL10256555 0.84 MAPT (0.44) MAPTPTGS2CYP1A2ALDH1A1TDP1
SCHEMBL3133057 0.83 VCP (0.38) MAPTPTGS2CYP1A2ALDH1A1TDP1
SCHEMBL13365238 0.83 ALDH1A1 (0.37) MAPTPTGS2CYP1A2ALDH1A1TDP1
SCHEMBL30204572 0.83 VCP (0.38) MAPTPTGS2CYP1A2ALDH1A1TDP1
SCHEMBL17533407 0.83 CYP1A2 (0.42) MAPTPTGS2CYP1A2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 — — US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 — — 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 MAPT 127/4885PTGS2 1242/4885CYP1A2 217/4885

“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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