SCHEMBL26865625

SCHEMBL26865625

O=S(=O)(Nc1nc(Oc2ccccc2)cc(C2CCNCC2)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR6 P50406 3/20 0.41
▸ PGR P06401 3/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL26811032 0.92 TSHR (0.50) TSHRSMN1; SMN2PGRGRIN1GRIN2B
SCHEMBL26811034 0.89 TSHR (0.47) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL26811036 0.87 TSHR (0.46) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL26811003 0.87 TSHR (0.48) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL24309955 0.85 TSHR (0.46) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL29566782 0.85 TSHR (0.46) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL26811002 0.84 TSHR (0.46) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL26810991 0.84 TSHR (0.43) TSHRSMN1; SMN2PGRGRIN1GRIN2B
SCHEMBL26811008 0.81 TSHR (0.46) TSHRSMN1; SMN2PGRMAPTMEN1
SCHEMBL24310443 0.80 SMN1; SMN2 (0.61) TSHRSMN1; SMN2PGRMAPTMEN1

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 1 patent. 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

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 TSHR 1755/4885SMN1; SMN2 4847/4885HTR6 2653/4885

“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