SCHEMBL7162549

SCHEMBL7162549

S=C(Cl)Sc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7164239 0.70 IDO1 (0.49) MEN1KMT2ATSHRHSD17B10KDM4E
SCHEMBL7263840 0.68 MEN1 (0.61) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL4636283 0.68 MEN1 (0.48) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL30050744 0.68 MEN1 (0.48) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL10936651 0.66 MEN1 (0.46) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL11325519 0.66 APEX1 (0.37) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL11217187 0.64 MEN1 (0.44) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL15362374 0.64 MEN1 (0.44) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL5031030 0.64 MEN1 (0.44) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL17964144 0.62 MEN1 (0.32) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947504-B1 16-ENE-VITAMIN D DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 — — EP disclosed
US-6555699-B2 Antitumor and antirheumatic agents, high binding affinity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 — — US disclosed
US-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-12-19 — — US disclosed
US-6433200-B1 ANTITUMOR AND ANTIRHEUMATIC AGENTS, HIGH BINDING AFINITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY CHUGEI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-13 — — US disclosed
US-20020032340-A1 16-ene-vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-03-14 — — US disclosed
US-6326503-B1 ANTITUMOR AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-04 — — US disclosed
US-6184398-B1 ANTITUMOR AGENTS AND TREATMENT OF RHEUMATIC CONDITIONS; HIGH BINDING ABILITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY; E.G.,1,3-DIHYDROXY-20-3-HYDROXY-3-METHYLBUTYLTHIO)-9,10-SECOPREGNA -5,7,10(19),16-TETRAENE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-06 — — US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 — — EP 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 (2 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-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 MEN1 721/4885KMT2A 4427/4885HPGD 39/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 MEN1 1518/4885KMT2A 3959/4885HPGD 86/4885

“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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