SCHEMBL26555003

SCHEMBL26555003

CN(C)c1ccc(C#Cc2ccc3c4c(cccc24)C(=O)OC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.44
▸ TNNI3 P19429 1/20 0.38
▸ TNNT2 P45379 1/20 0.38
▸ TNNC1 P63316 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ADK P55263 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ USP2 O75604 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 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
SCHEMBL15843910 0.84 TYMS (0.50) TYMSMEN1KMT2APOLBNPC1
SCHEMBL31087627 0.83 TYMS (0.43) TYMSL3MBTL1ATMMEN1KMT2A
SCHEMBL25417476 0.80 HEXA (0.46) L3MBTL1ATMMEN1KMT2APOLB
SCHEMBL30436709 0.80 HEXA (0.46) L3MBTL1ATMMEN1KMT2APOLB
SCHEMBL25421298 0.78 TERT (0.49) L3MBTL1ATMMEN1KMT2APOLB
SCHEMBL17172502 0.78 TYMS (0.53) TYMSATMMEN1KMT2APOLB
SCHEMBL19449069 0.77 ATM (0.44) L3MBTL1ATMADK
SCHEMBL11947508 0.77 TYMS (0.37) TYMSMEN1KMT2APOLB
SCHEMBL25420920 0.75 APP (0.47) L3MBTL1MEN1KMT2APOLBNPC1
SCHEMBL14918648 0.72 TYMS (0.47) TYMSATMMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331679-A1 NAPHTHALENE MONOIMIDE COMPOUNDS AND METHODS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2023-10-19 — — 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-20230331679-A1 NAPHTHALENE MONOIMIDE COMPOUNDS AND METHODS THEREOF PSEN1, PSEN2, MAPT TYMS 2656/4885TNNI3 1372/4885TNNT2 1641/4885

“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.

Send feedback