SCHEMBL25389586

SCHEMBL25389586

O=c1[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2[nH]cc(C=NOCc3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAP3K7 O43318 3/20 0.32
TAB1 Q15750 3/20 0.32
NAMPT P43490 1/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TK1 P04183 1/20 0.31
RECQL P46063 1/20 0.31
TYMS P04818 3/20 0.31

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
SCHEMBL25387199 0.90 TAAR1 (0.36) PPARGPPARAHCAR2TK1TYMS
SCHEMBL25390339 0.85 MAPT (0.33) MEN1NPC1RAB9AKMT2ATK1
SCHEMBL25388131 0.82 HPGD (0.35) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL17652009 0.79 KMT2A (0.35) MEN1RAB9AKMT2ATYMS
SCHEMBL25815335 0.73 KCNA5 (0.36) MEN1KMT2ARECQL
SCHEMBL19253836 0.72 TYMS (0.34) RAB9ATYMS
SCHEMBL25390380 0.71 TYMS (0.43) TYMS
SCHEMBL17652022 0.71 CHUK (0.43) TYMS
SCHEMBL19253834 0.70 MPO (0.39) TYMS
SCHEMBL17652035 0.67 LMNA (0.35) MEN1KMT2ATYMS

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
EP-4188553-B1 COMPOUNDS PROVOST FELLOWS FOUND SCHOLARS & OTHER MEMBERS BOARD COLLEGE HOLY & UND (IE) 2024-05-08 EP disclosed
CN-116783197-A Compounds of formula (I) 都柏林圣三一学院教务长、研究员、基金会学者及董事会其他成员 2023-09-19 CN disclosed
US-20230286987-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2023-09-14 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-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 MEN1 887/4885NPC1 65/4885RAB9A 1109/4885

“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.