SCHEMBL20442328

SCHEMBL20442328

Cc1c(Cl)cccc1NC(=O)Nc1cccc2c(O)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ CHEK1 O14757 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ RET P07949 1/20 0.51
▸ MET P08581 1/20 0.51
▸ PIM1 P11309 1/20 0.51

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
SCHEMBL20442309 0.79 TRPV1 (1.00) TRPV1MAPTALDH1A1POLBKDM4E
SCHEMBL19006812 0.76 KDM4E (0.66) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL8421306 0.76 SMN1; SMN2 (0.63) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL2093177 0.76 MAPT (0.71) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL20498498 0.76 TRPV1 (0.59) TRPV1MAPTALDH1A1KDM4EMEN1
SCHEMBL20436799 0.75 TRPV1 (1.00) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL10217894 0.75 KDM4E (0.71) TRPV1SMN1; SMN2MAPTPOLBKDM4E
Hydrochloric Acid SCHEMBL9630506 0.75 KDM4E (0.64) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL476919 0.74 LMNA (0.69) TRPV1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL2093176 0.74 MAPT (0.69) TRPV1SMN1; SMN2MAPTALDH1A1POLB

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-11339122-B2 hTRPV1 chemical agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-05-24 — — US disclosed
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-10 — — US disclosed
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 — — 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-20180215705-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 TRPV1 1/4885SMN1; SMN2 2497/4885MAPT 4496/4885
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 TRPV1 1/4885SMN1; SMN2 2300/4885MAPT 4483/4885
US-11339122-B2 hTRPV1 chemical agents TRPV1, TRPA1, TRPV4 TRPV1 1/4885SMN1; SMN2 2497/4885MAPT 4496/4885

“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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