SCHEMBL17949892

SCHEMBL17949892

O=C(NCCPc1ccccc1)c1ccc(-c2oc3cc4ccccc4cc3c(=O)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ MAPT P10636 8/20 0.43
▸ CYP3A4 P08684 8/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ ALOX15 P16050 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ TP53 P04637 7/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ ACHE P22303 2/20 0.41

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
SCHEMBL17944301 0.85 KDM4E (0.46) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17944014 0.83 KDM4E (0.42) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17944016 0.82 NAAA (0.49) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17943842 0.82 NAAA (0.49) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17943833 0.80 MEN1 (0.42) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17944013 0.80 MEN1 (0.42) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17940164 0.79 KDM4E (0.56) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17940142 0.76 CYP3A4 (0.68) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17943841 0.76 KDM4E (0.52) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL17944028 0.74 TP53 (0.70) KDM4EMAPTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods UTAH STATE UNIVERSITY (US) 2016-07-28 — — 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 (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-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods MB, CORO1C, CYCS KDM4E 1691/4885MAPT 2371/4885CYP3A4 698/4885

“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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