SCHEMBL14217009

SCHEMBL14217009

Cc1ccc(C(C)(C)C)c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AMY1A P0DUB6 1/20 0.37
KLF10 Q13118 1/20 0.37
CFTR P13569 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL10611171 0.89 HSPA5 (0.47) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL14934287 0.86 ACE2 (0.44) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL30743768 0.86 ACE2 (0.44) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL12326734 0.82 KIF11 (0.40) SMN1; SMN2ALDH1A1POLBAMY1ATDP1
SCHEMBL25677923 0.81 HSPA5 (0.42) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL1990099 0.79 KLF10 (0.50) SMN1; SMN2CYP2C19ALDH1A1TYRCYP2D6
SCHEMBL19565547 0.79 TAAR1 (0.44) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL15130531 0.79 HSPA5 (0.41) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL26853007 0.78 HSPA5 (0.39) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL28959035 0.78 HSPA5 (0.39) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. (KR) 2023-11-16 US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 US disclosed
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2021-11-11 US disclosed
US-8536195-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 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 (6 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-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT HSPA5 1476/4885SMN1; SMN2 1/4885CYP2C9 2726/4885
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 HSPA5 2440/4885SMN1; SMN2 1855/4885CYP2C9 3851/4885
US-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 HSPA5 1584/4885SMN1; SMN2 3263/4885CYP2C9 648/4885
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels KCNJ2, TRPV1, KCNN3 HSPA5 1236/4885SMN1; SMN2 1162/4885CYP2C9 2533/4885
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders SMN1; SMN2, SNCA, HTT HSPA5 1476/4885SMN1; SMN2 1/4885CYP2C9 2726/4885
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT HSPA5 1476/4885SMN1; SMN2 1/4885CYP2C9 2726/4885

“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.