SCHEMBL22680041

SCHEMBL22680041

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.56
▸ PTPN6 P29350 1/20 0.56
▸ PTPN11 Q06124 1/20 0.56
▸ TRPV1 Q8NER1 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MCHR1 Q99705 5/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ DGAT2 Q96PD7 1/20 0.46
▸ KCNQ3 O43525 5/20 0.44
▸ KCNQ2 O43526 5/20 0.44
▸ KCNE1 P15382 4/20 0.44
▸ KCNQ1 P51787 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ P4HTM Q9NXG6 1/20 0.43
▸ PTPN2 P17706 1/20 0.43

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
SCHEMBL24571214 0.92 TRPV1 (0.49) PTPN1PTPN6PTPN11TRPV1MCHR1
SCHEMBL22680062 0.85 WNT3A (0.50) TRPV1DGAT2KCNQ3KCNQ2KCNE1
SCHEMBL22659842 0.84 MCHR1 (0.51) PTPN1PTPN6PTPN11TRPV1POLB
SCHEMBL22680067 0.82 BRAF (0.47) TRPV1SMN1; SMN2DGAT2KCNQ3KCNQ2
SCHEMBL29405937 0.78 KLKB1 (0.48) PTPN1PTPN6PTPN11TRPV1MCHR1
SCHEMBL22659168 0.78 KLKB1 (0.48) PTPN1PTPN6PTPN11TRPV1MCHR1
SCHEMBL3817443 0.77 P4HTM (0.63) PTPN1PTPN6PTPN11TRPV1KCNQ3
SCHEMBL22659283 0.76 TRPV1 (0.48) TRPV1HTTSMN1; SMN2DGAT2KCNQ3
SCHEMBL5218095 0.76 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659137 0.76 KCNQ3 (0.47) TRPV1MCHR1HTR2CDGAT2KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US 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 (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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 PTPN1 3365/4885PTPN6 3384/4885PTPN11 3022/4885

“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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