SCHEMBL22492817

SCHEMBL22492817

COc1cc(Nc2ncccc2C(=O)c2ccccc2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
HTT P42858 3/20 0.62
MAPK1 P28482 2/20 0.62
PKM P14618 1/20 0.62
MAPT P10636 7/20 0.61
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
DHODH Q02127 7/20 0.57
POLB P06746 1/20 0.55
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49

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
SCHEMBL4181025 0.82 MEN1 (0.61) MEN1KMT2AHTTMAPK1PKM
SCHEMBL8694084 0.82 DHODH (0.76) MEN1KMT2AHTTMAPK1PKM
SCHEMBL4181112 0.81 MEN1 (0.62) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15635493 0.79 MEN1 (0.72) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15636276 0.79 MEN1 (0.72) MEN1KMT2AHTTMAPK1PKM
SCHEMBL4167706 0.79 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15635590 0.77 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL22492799 0.77 AKR1C3 (0.51) MEN1KMT2AHTTMAPK1MAPT
SCHEMBL16638716 0.77 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL17363143 0.77 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 EP 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 MEN1 4094/4885KMT2A 938/4885HTT 2293/4885

“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.