SCHEMBL24309708

SCHEMBL24309708

CC(C)CCn1cc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL24309711 0.83 TDP1 (0.35) MAPTNAMPTADORA1ALDH1A1CTSD
SCHEMBL29567191 0.83 MAPT (0.46) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806813 0.78 MAPT (0.61) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL24309568 0.78 ALDH1A1 (0.47) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL24309685 0.77 MAPT (0.47) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26810872 0.77 TSHR (0.44) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26810968 0.76 MAPT (0.44) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806984 0.76 MAPT (0.55) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806954 0.76 MAPT (0.55) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806972 0.76 TSHR (0.57) MAPTTSHRSMN1; SMN2KDM4ELMNA

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 MAPT 4864/4885TSHR 1755/4885SMN1; SMN2 4847/4885

“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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