SCHEMBL29959860

SCHEMBL29959860

O=c1c2cc([N+](=O)[O-])ccc2nc(C2CCN2)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ IDO2 Q6ZQW0 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL23070048 1.00 ALDH1A1 (0.47) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL23069883 0.93 ALDH1A1 (0.45) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL29959752 0.93 ALDH1A1 (0.45) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL23069833 0.93 ALDH1A1 (0.45) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL23069834 0.93 ALDH1A1 (0.45) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL29960052 0.93 ALDH1A1 (0.45) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL15798534 0.86 ALDH1A1 (0.47) ALDH1A1HTTKDRMAPTLMNA
SCHEMBL29960005 0.84 NPC1 (0.46) ALDH1A1HTTMAPTLMNANPC1
SCHEMBL23069855 0.84 NPC1 (0.46) ALDH1A1HTTMAPTLMNANPC1
SCHEMBL23069888 0.84 NPC1 (0.48) ALDH1A1MAPTLMNANPC1POLB

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-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES UT RESEARCH FOUNDATION 2022-11-03 — — 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-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES NEFM, EIF2AK2, PMP22 ALDH1A1 1861/4885HTT 4173/4885KDR 2291/4885

“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.

Send feedback