SCHEMBL3561298

SCHEMBL3561298

Cc1cc(C(=O)Cl)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MYC P01106 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34

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
SCHEMBL589380 0.83 MTOR (0.45) CES2CES1HTTSMN1; SMN2ALDH1A1
SCHEMBL31697364 0.83 MTOR (0.45) CES2CES1HTTSMN1; SMN2ALDH1A1
SCHEMBL498268 0.81 TSHR (0.52) SMN1; SMN2ALDH1A1TDP1MAPTTSHR
SCHEMBL40769 0.80 SMN1; SMN2 (0.55) CES2CES1HTTSMN1; SMN2TAS1R3
SCHEMBL25779809 0.80 TPMT (0.39) CES2CES1ALDH1A1TSHRESR1
SCHEMBL30475402 0.80 SMN1; SMN2 (0.55) CES2CES1HTTSMN1; SMN2TAS1R3
SCHEMBL444401 0.79 PARP1 (0.53) SMN1; SMN2ALDH1A1TSHRHSD17B10PARP1
SCHEMBL1773780 0.78 CES2 (0.39) CES2CES1HTTSMN1; SMN2ALDH1A1
SCHEMBL31634804 0.78 CES2 (0.39) CES2CES1HTTSMN1; SMN2ALDH1A1
SCHEMBL2154161 0.78 HSD17B1 (0.43) CES2CES1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020217710-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-10-29 — — WO disclosed
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 — — EP disclosed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 — — US disclosed
CN-101208342-A Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists WYETH CORP (US) 2008-06-25 — — CN disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 — — EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 — — US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 — — 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR CES2 3886/4885CES1 3504/4885HTT 2736/4885

“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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