SCHEMBL26722955

SCHEMBL26722955

O=c1cc(-c2ccc(C(F)(F)F)cc2O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ HPGD P15428 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ G6PD P11413 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CTSV O60911 5/20 0.50
▸ CTSL P07711 5/20 0.50
▸ KIF11 P52732 2/20 0.50
▸ TUBB4A P04350 1/20 0.50

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
SCHEMBL26847070 0.91 KDM4E (0.51) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26846933 0.86 KDM4E (0.52) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26846979 0.83 KDM4E (0.49) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26722951 0.83 KDM4E (0.51) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26722956 0.82 ABCG2 (0.55) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL312866 0.81 HPGD (0.57) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26847068 0.81 HPGD (0.64) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26846937 0.80 ABCG2 (0.52) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26723104 0.79 CTSV (0.46) KDM4EHPGDLMNAMAPTRAB9A
SCHEMBL26847041 0.77 KDM4E (0.51) KDM4EHPGDLMNAMAPTRAB9A

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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KDM4E 4346/4885HPGD 546/4885LMNA 3454/4885

“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.

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