SCHEMBL23489291

SCHEMBL23489291

C#C/N=C(\N)Nc1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPSE Q9Y251 1/20 0.48
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
APEX1 P27695 1/20 0.47
CBS P35520 1/20 0.47
CASR P41180 1/20 0.46
MITF O75030 2/20 0.46
PPM1B O75688 1/20 0.45
CA1 P00915 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2347131 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL2347128 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
Water SCHEMBL8886628 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL23455453 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
Water SCHEMBL8886634 0.85 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL23489290 0.85 ALDH1A1 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5210059 0.77 KMT2A (0.62) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL20839858 0.76 KMT2A (0.57) KMT2AMEN1NPC1RAB9ALMNA
Urea SCHEMBL307661 0.76 KMT2A (0.60) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL687614 0.74 ALDH1A1 (0.69) KMT2AMEN1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 KMT2A 4790/4885MEN1 847/4885NPC1 651/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 KMT2A 4790/4885MEN1 847/4885NPC1 651/4885

“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.