SCHEMBL7164239

SCHEMBL7164239

S=C(Cl)Sc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.49
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 2/20 0.36
▸ HAO1 Q9UJM8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RHEB Q15382 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL21807618 0.80 PKM (0.44) IDO1LMNATSHRTERTALDH1A1
SCHEMBL7162341 0.76 TSHR (0.38) IDO1LMNATSHRALDH1A1HAO1
SCHEMBL7628635 0.74 IDO1 (0.46) IDO1LMNATSHRTERTALDH1A1
SCHEMBL28469527 0.71 CA12 (0.57) IDO1LMNATSHRTERTALDH1A1
SCHEMBL1816008 0.70 — —
SCHEMBL7162549 0.70 MEN1 (0.39) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL8536411 0.70 IDO1 (0.54) IDO1TERTALDH1A1PKMKDM4E
SCHEMBL6915666 0.69 RHEB (0.55) LMNATSHRALDH1A1PKMHAO1
SCHEMBL31464849 0.69 FBP1 (0.55) IDO1LMNATSHRALDH1A1HAO1
SCHEMBL225608 0.69 FBP1 (0.55) IDO1LMNATSHRALDH1A1HAO1

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 IDO1 3413/4885LMNA 1636/4885TSHR 432/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 IDO1 1645/4885LMNA 3455/4885TSHR 333/4885

“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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