SCHEMBL1945795

SCHEMBL1945795

COC(=O)c1cccc([N+](=O)[O-])c1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.45
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL31226867 0.84 TSHR (0.54) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL1126945 0.84 TSHR (0.53) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL15689533 0.83 TSHR (0.42) ALDH1A1MAPTTSHRSMN1; SMN2MEN1
SCHEMBL28049576 0.81 MAPT (0.53) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL28782981 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL17673176 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL50994 0.79 TSHR (0.54) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL29835086 0.79 MAPT (0.51) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL17673274 0.79 ALDH1A1 (0.44) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL960443 0.78 TSHR (0.53) ALDH1A1MAPTPOLBTSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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 (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-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 ALDH1A1 3248/4885MAPT 3182/4885POLB 424/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885MAPT 3534/4885POLB 1979/4885

“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.