SCHEMBL14328197

SCHEMBL14328197

O=C=NCc1ccc(CCCl)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 5/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 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
SCHEMBL21089 0.84 MIF (0.44) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL18486425 0.83 CA1 (0.39) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL14972874 0.82 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL29040332 0.82 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL22471901 0.82 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL18567327 0.81 MIF (0.42) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL28911026 0.79 MIF (0.39) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL151739 0.78 MIF (0.44) MIFTRPA1ALDH1A1
SCHEMBL31094964 0.78 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
Cyclohexane SCHEMBL28302863 0.78 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — 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 (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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 MIF 33/4885TRPA1 1737/4885CYP3A4 3993/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 MIF 33/4885TRPA1 1737/4885CYP3A4 3993/4885

“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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