SCHEMBL4718673

SCHEMBL4718673

Cc1onc(-c2ccc(F)cc2)c1C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
GAA P10253 2/20 0.72
GPBAR1 Q8TDU6 2/20 0.57
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
BACE1 P56817 3/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGS2 P35354 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.45

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
Hydrochloric Acid SCHEMBL30684627 0.98 KMT2A (0.70) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL27913634 0.87 GPBAR1 (0.60) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL457706 0.86 GPBAR1 (0.59) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL2475844 0.86 GPBAR1 (0.59) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL4721779 0.84 ALDH1A1 (0.56) KMT2AMEN1GAAGPBAR1TSHR
Hydrochloric Acid SCHEMBL3981907 0.84 GPBAR1 (0.57) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3068021 0.84 GPBAR1 (0.61) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL903110 0.84 KMT2A (1.00) KMT2AMEN1GAATSHRHSD17B10
SCHEMBL19035 0.84 KMT2A (0.67) KMT2AMEN1GAAGPBAR1TSHR
Hydrochloric Acid SCHEMBL30684542 0.83 KMT2A (0.97) KMT2AMEN1GAATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 KMT2A 3283/4885MEN1 3740/4885GAA 1965/4885

“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.