SCHEMBL27175992

SCHEMBL27175992

COc1cc(OC(F)F)ncc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
ERN1 O75460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
TTR P02766 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4719832 0.84 ALDH1A1 (0.46) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL30399809 0.84 ALDH1A1 (0.46) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL30911400 0.82 MAPT (0.43) ALDH1A1CYP3A4MAPTHSD17B10MAPK1
SCHEMBL26087355 0.78 CHEK1 (0.43) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL29212313 0.77 PKM (0.40) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL14333666 0.74 ALDH1A1 (0.46) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL14183069 0.74 F2RL3 (0.37) KDM4EMAPK1LMNA
SCHEMBL4716517 0.74 PIN1 (0.49) TDP1PIN1ALDH1A1CYP3A4MAPT
SCHEMBL221671 0.73 ALDH1A1 (0.44) TDP1PIN1ALDH1A1KDM4ECYP3A4
SCHEMBL1100650 0.73 PIN1 (0.50) TDP1PIN1ALDH1A1KDM4ECYP3A4

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
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
EP-4074703-B1 PYRIDINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2023-11-29 EP disclosed
EP-4074703-A1 PYRIDINYL-(AZA)INDOLSULFONAMIDES UCB Pharma GmbH (DE) 2022-10-19 EP disclosed
EP-3810591-B1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2022-08-10 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 (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-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides GPR17, GPR18, GPR119 TDP1 3788/4885PIN1 3221/4885ALDH1A1 732/4885

“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.