SCHEMBL8564326

SCHEMBL8564326

COCCOc1ncccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ATM Q13315 1/20 0.49
RECQL P46063 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 3/20 0.45
PDE10A Q9Y233 1/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
GFER P55789 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL27829038 0.92 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL31701918 0.86 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL23343548 0.84 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL1345767 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL19172851 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL2368431 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL6376744 0.82 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL27816126 0.82 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5797265 0.82 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL231110 0.82 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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 (8 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ALDH1A1 3944/4885NPC1 1061/4885RAB9A 4167/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885NPC1 4595/4885RAB9A 3462/4885

“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.