SCHEMBL29935542

SCHEMBL29935542

Cc1cc(-c2nc3ccccc3s2)cc(C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 9/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 5/20 0.57
APP P05067 5/20 0.57
GAA P10253 3/20 0.57
LMNA P02545 2/20 0.57
GLA P06280 2/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57

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
SCHEMBL13053014 0.87 RAB9A (0.69) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15786286 0.86 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17059020 0.86 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14939305 0.85 RAB9A (0.67) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1105447 0.84 APP (0.69) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11319069 0.81 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL366824 0.81 RAB9A (0.81) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29474819 0.81 RAB9A (0.81) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13853327 0.80 APP (0.73) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5461064 0.79 RAB9A (0.77) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2022-10-20 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-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME NOX4, DUOX1, PNPO KDM4E 2720/4885SMN1; SMN2 3862/4885ALDH1A1 979/4885

“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.