SCHEMBL17383550

SCHEMBL17383550

Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ POLB P06746 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 3/20 0.52
▸ GAA P10253 1/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SPHK2 Q9NRA0 2/20 0.45
▸ SPHK1 Q9NYA1 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 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
Hydrochloric Acid SCHEMBL17377397 0.99 MAPT (0.55) MAPTPOLBHTTKMT2AGAA
SCHEMBL3532271 0.75 SPHK2 (0.74) KMT2ANPC1MEN1SPHK2SMN1; SMN2
SCHEMBL17377392 0.75 SPHK2 (0.74) KMT2ANPC1MEN1SPHK2SMN1; SMN2
SCHEMBL3829426 0.74 POLB (0.58) MAPTPOLBHTTKMT2AGAA
SCHEMBL8899318 0.74 NOTUM (0.68) MAPTPOLBHTTKMT2ANPC1
SCHEMBL25916050 0.74 ALDH1A1 (0.68) MAPTPOLBKMT2ANPC1ALOX12
SCHEMBL23083392 0.73 PTGS2 (0.50) POLBHTTKMT2AMEN1USP2
SCHEMBL2640766 0.72 ALDH1A1 (0.70) MAPTPOLBHTTKMT2ANPC1
SCHEMBL28531581 0.71 KMT2A (0.73) MAPTPOLBHTTKMT2ANPC1
SCHEMBL17377382 0.71 SMPD1 (0.64) MAPTPOLBGAAALOX12SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828351-B2 Enzyme interacting agents MONASH UNIVERSITY (AU) 2017-11-28 — — US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 — — US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 — — US disclosed
WO-2015196258-A1 ENZYME INTERACTING AGENTS MONASH UNIVERSITY (AU) 2015-12-30 — — WO 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-20170190698-A1 ENZYME INTERACTING AGENTS SMPD1, SMPD2, ASAH1 MAPT 3836/4885POLB 851/4885HTT 4542/4885

“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.

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