SCHEMBL404351

SCHEMBL404351

Cc1cc(F)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
TSHR P16473 4/20 0.52
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2232801 0.86 GPR35 (0.61) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL30908625 0.81 GPR35 (0.52) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL349045 0.80 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL29816776 0.80 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL602423 0.80 TDP1 (0.53) TSHRCYP3A4ALDH1A1MAPTKDM4E
SCHEMBL6615061 0.80 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL7786697 0.80 TSHR (0.60) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL9751253 0.78 ALDH1A1 (0.63) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL2970574 0.78 ALDH1A1 (0.63) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL240605 0.78 ALDH1A1 (0.48) TSHRCYP3A4ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 EP disclosed
WO-2024061340-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-03-28 WO disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 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 (4 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 GPR35 1008/4885TSHR 363/4885CYP3A4 2054/4885
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS GPR35 3867/4885TSHR 4051/4885CYP3A4 71/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR35 75/4885TSHR 82/4885CYP3A4 2376/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR35 75/4885TSHR 82/4885CYP3A4 2376/4885

“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.