SCHEMBL24511136

SCHEMBL24511136

Nc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.69
PRSS1 P07477 2/20 0.69
CHKA P35790 7/20 0.67
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48

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
Bromide SCHEMBL22412976 0.98 CHKA (0.70) F2PRSS1CHKAALDH1A1LMNA
Hydrochloric Acid SCHEMBL19468767 0.98 F2 (0.67) F2PRSS1CHKAALDH1A1LMNA
SCHEMBL13283227 0.83 CHKA (0.61) F2PRSS1CHKAALDH1A1LMNA
SCHEMBL18459220 0.82 CHKA (0.61) F2PRSS1CHKAALDH1A1LMNA
Benzyl Viologen SCHEMBL1108041 0.81 ALDH1A1 (0.74) F2PRSS1CHKAALDH1A1LMNA
SCHEMBL93665 0.80 CHKA (0.59) F2PRSS1CHKAALDH1A1LMNA
SCHEMBL19504329 0.80 MAOB (0.58) F2PRSS1CHKAALDH1A1LMNA
Bromide SCHEMBL7322480 0.79 F2 (0.72) F2PRSS1CHKASMN1; SMN2RAB9A
SCHEMBL10326023 0.79 CHKA (0.61) F2PRSS1CHKAALDH1A1LMNA
Benzyl Viologen SCHEMBL1930045 0.79 ALDH1A1 (0.78) CHKAALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185812-A1 INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES AND CANCER METASTASIS THE ROCKEFELLER UNIVERSITY (US) 2022-06-16 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 (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-20220185812-A1 INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES AND CANCER METASTASIS CGAS, STING1, IRF3 F2 4793/4885PRSS1 1406/4885CHKA 2682/4885

“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.