SCHEMBL22659283

SCHEMBL22659283

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(Br)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.48
▸ KCNQ3 O43525 5/20 0.46
▸ KCNQ2 O43526 5/20 0.46
▸ KCNE1 P15382 4/20 0.46
▸ KCNQ1 P51787 4/20 0.46
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAP3K5 Q99683 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.42
▸ HDAC4 P56524 1/20 0.42

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
SCHEMBL22659842 0.84 MCHR1 (0.51) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659137 0.84 KCNQ3 (0.47) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659168 0.82 KLKB1 (0.48) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29405937 0.82 KLKB1 (0.48) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29405064 0.81 DGAT2 (0.49) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659359 0.81 DGAT2 (0.49) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659056 0.81 KCNQ3 (0.50) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659311 0.80 PDGFRB (0.52) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659373 0.80 BRAF (0.47) TRPV1KDRMAPTSMN1; SMN2DGAT2
SCHEMBL22679920 0.79 TRPV1 (0.47) TRPV1KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — WO disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — 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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 TRPV1 336/4885KCNQ3 4135/4885KCNQ2 4299/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 TRPV1 336/4885KCNQ3 4135/4885KCNQ2 4299/4885

“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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