SCHEMBL29122001

SCHEMBL29122001

CCOC(=O)Cc1ccc(OC)cc1OCc1c2cc(Br)ccc2nn1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PDE9A O76083 3/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
ELANE P08246 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 1/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL29122090 0.98 ALDH1A1 (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29122097 0.91 ELANE (0.37) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29123004 0.91 GSK3B (0.35) KMT2APOLBMAPTALDH1A1MAPK1
SCHEMBL29121932 0.89 PDE1A (0.35) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29123113 0.89 TBXAS1 (0.39) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29122953 0.89 GSK3B (0.35) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29122560 0.88 DDR1 (0.35) MAPTALDH1A1ELANEJAK2PAK4
SCHEMBL29122873 0.88 TBXAS1 (0.40) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29122474 0.87 PTGER1 (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL23218889 0.86 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1TDP1

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 KMT2A 1480/4885MEN1 3113/4885POLB 1866/4885

“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.