SCHEMBL254974

SCHEMBL254974

COC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 1/20 0.59
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
STAT3 P40763 1/20 0.57
RAB9A P51151 1/20 0.57
MMP13 P45452 4/20 0.56
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56

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
SCHEMBL171628 0.92 SMN1; SMN2 (0.81) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3002785 0.88 SMN1; SMN2 (0.75) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3018224 0.87 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3018222 0.87 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3021492 0.87 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3007803 0.86 SMN1; SMN2 (0.72) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL13245266 0.85 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3020196 0.85 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3020195 0.85 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3019821 0.85 SMN1; SMN2 (0.70) MAPK1SMN1; SMN2KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2025-05-29 US disclosed
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions X-BIOTIX THERAPEUTICS, INC. 2025-02-18 US disclosed
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO 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 (5 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-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 MAPK1 3418/4885SMN1; SMN2 4038/4885KMT2A 169/4885
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions AADAC, AZI2, CBX7 MAPK1 3418/4885SMN1; SMN2 4038/4885KMT2A 169/4885
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 MAPK1 3418/4885SMN1; SMN2 4038/4885KMT2A 169/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX MAPK1 3489/4885SMN1; SMN2 4714/4885KMT2A 2611/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX MAPK1 3489/4885SMN1; SMN2 4714/4885KMT2A 2611/4885

“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.