SCHEMBL22035261

SCHEMBL22035261

CCc1c(C)c2cc(F)ccc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HKDC1 Q2TB90 1/20 0.39
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
PLK1 P53350 2/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TTR P02766 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL22016169 0.81 CYP2C9 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21978883 0.78 ATM (0.43) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL30901264 0.78 ATM (0.43) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL22017133 0.76 HSP90AA1 (0.44) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL22016488 0.76 ATM (0.41) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31223914 0.75 ATM (0.43) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8366327 0.74 PTGDR2 (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL22417980 0.72 KDM4E (0.50) ATMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8140534 0.70 ATM (0.53) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL890554 0.70 PIK3CD (0.43) ATMKDM4EALDH1A1SMN1; SMN2HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 ATM 3786/4885KDM4E 1442/4885ALDH1A1 823/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ATM 4085/4885KDM4E 1209/4885ALDH1A1 791/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR ATM 2532/4885KDM4E 2655/4885ALDH1A1 193/4885

“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.