SCHEMBL2589897

SCHEMBL2589897

COc1cc(CO)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
TTR P02766 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL16117976 0.94 LMNA (0.47) ALDH1A1MAPTTTRLMNASMN1; SMN2
SCHEMBL2596015 0.88 CHEK1 (0.46) ALDH1A1MAPTTTRLMNASMN1; SMN2
SCHEMBL13557414 0.85 SMN1; SMN2 (0.49) ALDH1A1MAPTTTRSMN1; SMN2NPC1
SCHEMBL9280470 0.84 TDP1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL19175434 0.84 LMNA (0.44) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL19180992 0.84 RAB9A (0.46) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL9275238 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL2595559 0.82 PDGFRB (0.50) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL2595478 0.82 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL14965715 0.82 TAAR1 (0.54) ALDH1A1MAPTLMNACYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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 (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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E ALDH1A1 3289/4885MAPT 1071/4885TTR 3071/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ALDH1A1 4296/4885MAPT 3591/4885TTR 4194/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ALDH1A1 4076/4885MAPT 3533/4885TTR 3973/4885

“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.