SCHEMBL25824767

SCHEMBL25824767

COc1cc(C(=O)N2CCN(Cc3csc(Br)n3)CC2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15303789 0.80 KDM4E (0.83) KDM4EKMT2APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL10334554 0.78 KDM4E (0.81) KDM4EKMT2APOLBALDH1A1L3MBTL1
SCHEMBL2764119 0.78 HPGD (0.59) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL10334481 0.78 POLB (0.84) KDM4EKMT2APOLBALDH1A1L3MBTL1
SCHEMBL10447618 0.77 ALDH1A1 (0.70) KDM4EPOLBALDH1A1L3MBTL1LMNA
SCHEMBL24109288 0.77 KDM4E (0.46) KDM4EKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL24109056 0.76 KDM4E (0.46) KDM4EKMT2APOLBALDH1A1L3MBTL1
SCHEMBL11847732 0.75 KDM4E (0.76) KDM4EKMT2APOLBALDH1A1L3MBTL1
SCHEMBL2765033 0.75 HPGD (0.56) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL20338952 0.75 KMT2A (0.53) KMT2AALDH1A1L3MBTL1SMN1; 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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 (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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 KDM4E 1531/4885KMT2A 2463/4885POLB 646/4885

“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.