SCHEMBL17294253

SCHEMBL17294253

O=C(OC(F)F)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
NAPRT Q6XQN6 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5791195 0.84 HSD17B10 (0.50) HSD17B10NAPRTLMNACYP1A2CYP2C9
SCHEMBL17541863 0.80 HSD17B10 (0.50) HSD17B10NAPRTLMNACYP1A2CYP2C9
Isopropyl Isonicotinate SCHEMBL552612 0.79 CA12 (0.62) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL15953934 0.79 HSD17B10 (0.53) HSD17B10NAPRTLMNACYP1A2CYP2C9
SCHEMBL18312749 0.79 HSD17B10 (0.48) HSD17B10NAPRTLMNACYP1A2CYP2C9
SCHEMBL13731298 0.78 TSHR (0.63) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1
Isopropyl Isonicotinate SCHEMBL30827702 0.78 CA12 (0.60) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL30241119 0.77 ALDH1A1 (0.61) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29199070 0.77 ALDH1A1 (0.61) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22978547 0.77 CES2 (0.50) CYP1A2SMN1; SMN2RAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103364-A Pyrazinyl-triazole compounds as pesticides 拜耳公司 2024-05-28 CN disclosed
WO-2023198140-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2023-10-19 WO disclosed
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof AMGEN INC. (US) 2023-10-10 US disclosed
US-20220281850-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. 2022-09-08 US disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 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 (2 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-11780826-B2 Bisamide sarcomere activating compounds and uses thereof TNNI3, TNNT2, TNNC1 HSD17B10 3855/4885NAPRT 4325/4885LMNA 42/4885
US-20220281850-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF TNNI3, TNNT2, TNNC1 HSD17B10 3855/4885NAPRT 4325/4885LMNA 42/4885

“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.