SCHEMBL6268546

SCHEMBL6268546

ClCCN(CCCl)Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ PYCR1 P32322 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL8995945 0.85 MEN1 (0.45) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL6268004 0.82 HTT (0.50) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL6268253 0.79 PYCR1 (0.53) ALDH1A1MEN1KMT2AHRH3PYCR1
SCHEMBL996485 0.79 HRH3 (0.48) ALDH1A1MEN1KMT2AHRH3PYCR1
SCHEMBL995037 0.79 TAAR1 (0.43) ALDH1A1MEN1KMT2AHRH3PYCR1
SCHEMBL373667 0.78 OPRM1 (0.48) ALDH1A1MEN1KMT2AHRH3AOC3
Hydrochloric Acid SCHEMBL144177 0.76 OPRM1 (0.50) ALDH1A1MEN1KMT2AHRH3AOC3
Bromide SCHEMBL8961491 0.76 OPRM1 (0.47) ALDH1A1MEN1KMT2AHRH3AOC3
SCHEMBL11366830 0.76 HRH3 (0.67) ALDH1A1HTTRAB9AHRH3PYCR1
SCHEMBL479112 0.76 OPRM1 (0.47) ALDH1A1MEN1KMT2AHTTHRH3

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
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 — — EP disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 — — US disclosed
US-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 — — US disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 — — US disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 — — US disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — 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 (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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 ALDH1A1 1065/4885MEN1 3004/4885KMT2A 2963/4885
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 ALDH1A1 1065/4885MEN1 3004/4885KMT2A 2963/4885

“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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