SCHEMBL18135095

SCHEMBL18135095

CCONC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ AR P10275 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ JMJD7 P0C870 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18135116 0.85 HPGD (0.52) HPGDKDM4EALDH1A1ARHDAC1
SCHEMBL14881202 0.84 KMT2A (0.50) HPGDKDM4EALDH1A1ARHDAC1
SCHEMBL14875894 0.83 HDAC1 (0.56) HPGDKDM4EALDH1A1ARHDAC1
SCHEMBL14875819 0.82 ALDH1A1 (0.52) HPGDKDM4EALDH1A1ARHDAC1
SCHEMBL28823850 0.82 HPGD (0.53) HPGDKDM4EALDH1A1ARHDAC1
Hydrochloric Acid SCHEMBL14881098 0.81 GRM4 (0.44) HPGDKDM4EALDH1A1ARKMT2A
SCHEMBL18135102 0.77 FFAR1 (0.42) POLBMAPT
SCHEMBL14876043 0.75 HPGD (0.46) HPGDKDM4EALDH1A1ARHDAC1
SCHEMBL14885231 0.74 ANO1 (0.51) HPGDKDM4EALDH1A1HDAC1HSD17B10
SCHEMBL14882707 0.74 FFAR1 (0.56) KDM4EALDH1A1POLBMAPTKMT2A

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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — 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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH HPGD 682/4885KDM4E 3498/4885ALDH1A1 956/4885

“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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