SCHEMBL24310328

SCHEMBL24310328

C/C(=C/C(C)C)c1ccccc1-c1cc(Oc2ccc(N3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BRD4 O60885 5/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL29566598 1.00 HTR2C (0.34) HTR2CHTR6TP53MAPTGAA
SCHEMBL24310325 0.85 MAP4K1 (0.32) TP53MAPTNPC1TSHRMAPK1
SCHEMBL24309804 0.85 HTR2C (0.36) HTR2CHTR6TP53MAPTGAA
SCHEMBL29567566 0.85 HTR2C (0.36) HTR2CHTR6TP53MAPTGAA
SCHEMBL26807445 0.85 MELK (0.40) HTR2CHTR6TP53GAAALDH1A1
SCHEMBL24310551 0.84 HTR6 (0.36) HTR2CHTR6TP53MAPTGAA
SCHEMBL26807452 0.83 HTR1A (0.42) HTR2CHTR6TP53GAAALDH1A1
SCHEMBL29566750 0.83 HTR2C (0.38) HTR2CHTR6TP53GAAALDH1A1
SCHEMBL24310305 0.83 HTR2C (0.38) HTR2CHTR6TP53GAAALDH1A1
SCHEMBL29567002 0.83 HTR2C (0.34) HTR2CHTR6TP53MAPTGAA

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR2C 4185/4885HTR6 2653/4885TP53 3197/4885

“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.

Send feedback