SCHEMBL16294347

SCHEMBL16294347

COC(=O)c1ccc([N+](=O)[O-])cc1C=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4406348 1.00 ALDH1A1 (0.44) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL31351763 1.00 ALDH1A1 (0.44) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL8164091 0.90 ALDH1A1 (0.46) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL30095400 0.90 ALDH1A1 (0.46) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL16166374 0.90 ALDH1A1 (0.46) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL16738021 0.85 ALDH1A1 (0.55) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL16738024 0.85 ALDH1A1 (0.55) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL16738022 0.85 ALDH1A1 (0.55) ALDH1A1HTTMAPTRAB9APOLB
SCHEMBL16961494 0.82 HTT (0.47) ALDH1A1HTTMAPTPOLBKDM4E
SCHEMBL22123094 0.82 ERN1 (0.55) ALDH1A1HTTMAPTPOLBSMN1; SMN2

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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 (2 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 ALDH1A1 916/4885HTT 4192/4885MAPT 3187/4885
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ALDH1A1 2603/4885HTT 4402/4885MAPT 4625/4885

“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.