SCHEMBL22492829

SCHEMBL22492829

O=C(c1ccccc1)c1sccc1Nc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
EPAS1 Q99814 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
HCAR3 P49019 1/20 0.37

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
SCHEMBL22492828 0.85 CCNA2 (0.52) MAPTALDH1A1MAPK1CCNA2CDK2
SCHEMBL22492805 0.80 CDK2 (0.57) MAPTL3MBTL1ALDH1A1CCNA2CDK2
SCHEMBL22492764 0.72 RAB9A (0.52) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL27523705 0.72 MAPK1 (0.53) ALDH1A1MAPK1ALOX5MEN1KMT2A
SCHEMBL22492833 0.70 SIRT2 (0.48) MAPTCCNA2CDK2MEN1KMT2A
SCHEMBL22492801 0.70 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22492821 0.68 CSNK2A1 (0.49) MAPTL3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL22492839 0.68 CSNK2A1 (0.49) CCNA2CDK2MEN1KMT2APKM
SCHEMBL15054158 0.68 CASR (0.51) MAPTALDH1A1ALOX5MEN1KMT2A
SCHEMBL11473233 0.67 L3MBTL1 (0.56) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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 MAPT 4809/4885L3MBTL1 1634/4885ALDH1A1 514/4885

“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.