SCHEMBL1095526

SCHEMBL1095526

[2H]c1c2oc3c([2H])c(NCC)c(C)cc3c(-c3ccccc3C(=O)O)c-2cc(C)/c1=N/CC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MYC P01106 1/20 0.34
▸ FABP4 P15090 1/20 0.32

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
SCHEMBL4080393 0.89 KDM4E (0.41) FTOKDM4EPOLBMAPTUSP2
SCHEMBL1096009 0.88 — —
SCHEMBL1095520 0.87 FTO (0.43) FTOKDM4EPOLBMAPTUSP2
SCHEMBL9915064 0.87 FTO (0.43) FTOKDM4EPOLBMAPTUSP2
SCHEMBL3626595 0.87 FTO (0.43) FTOKDM4EPOLBMAPTUSP2
Hydrochloric Acid SCHEMBL9638604 0.86 FTO (0.42) FTOKDM4EPOLBMAPTUSP2
Hydrochloric Acid SCHEMBL12492233 0.86 FTO (0.42) FTOKDM4EPOLBMAPTUSP2
Perchlorate SCHEMBL5605515 0.85 FTO (0.40) FTOKDM4EPOLBMAPTUSP2
Perchlorate SCHEMBL29579793 0.85 FTO (0.40) FTOKDM4EPOLBMAPTUSP2
Perchlorate SCHEMBL5605513 0.85 FTO (0.40) FTOKDM4EPOLBMAPTUSP2

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-8153827-B2 Reagents for biomolecular labeling, detection and quantification employing Raman spectroscopy PURDUE RESEARCH FOUNDATION (US) 2012-04-10 — — US disclosed
US-20090219526-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-03 — — 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-20090219526-A1 REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY SRMS, UQCRB, UQCRC1 FTO 3044/4885KDM4E 3862/4885POLB 748/4885

“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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