SCHEMBL29954032

SCHEMBL29954032

N#CC1(c2ccc(F)c([N+](=O)[O-])c2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HIF1A Q16665 1/20 0.45
VCAM1 P19320 2/20 0.43
LMNA P02545 5/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ESPL1 Q14674 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL9913570 1.00 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL19212377 0.97 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL30783403 0.97 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL19212399 0.94 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL30783402 0.94 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL30783398 0.88 ALDH1A1 (0.42) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL19212415 0.88 ALDH1A1 (0.42) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL30783385 0.84 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL19212402 0.84 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL10574972 0.80 MEN1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A

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-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 CN disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G ALDH1A1 1696/4885HIF1A 239/4885VCAM1 1035/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A ALDH1A1 1043/4885HIF1A 468/4885VCAM1 2028/4885

“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.