SCHEMBL12297964

SCHEMBL12297964

Cc1cc(NC(=O)CSc2ccccn2)no1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ POLB P06746 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PKM P14618 6/20 0.64
▸ MAPT P10636 2/20 0.63
▸ MEN1 O00255 1/20 0.61

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
SCHEMBL12230246 0.76 KMT2A (0.86) KDM4ESMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL3431552 0.76 KMT2A (0.91) SMN1; SMN2POLBTDP1ALDH1A1KMT2A
SCHEMBL14387700 0.75 MAPT (1.00) KDM4EPOLBTDP1ALDH1A1HSD17B10
SCHEMBL12230242 0.75 KMT2A (0.69) KDM4ESMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL30975216 0.74 RAB9A (0.76) KDM4ESMN1; SMN2ALDH1A1HSD17B10KMT2A
SCHEMBL9998600 0.73 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1HSD17B10KMT2A
SCHEMBL12230243 0.73 KMT2A (0.66) KDM4ESMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL6176249 0.73 MAPT (0.72) KDM4EPOLBTDP1ALDH1A1HSD17B10
SCHEMBL21586272 0.72 ALDH1A1 (0.80) SMN1; SMN2POLBALDH1A1HSD17B10KMT2A
SCHEMBL14207708 0.72 KMT2A (0.69) KDM4ESMN1; SMN2POLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906937-B2 Flavivirus inhibitors and methods of their use GEORGETOWN UNIVERSITY (US) 2014-12-09 — — US disclosed
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use GEORGETOWN UNIVERSITY (US) 2014-02-06 — — US disclosed
US-8563580-B2 Flavivirus inhibitors and methods for their use GEORGETOWN UNIVERSITY (US) 2013-10-22 — — US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 — — 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-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE SERPINB1, SPINT2, MME KDM4E 2141/4885SMN1; SMN2 855/4885POLB 3870/4885
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use SERPINB1, SPINT2, MME KDM4E 2560/4885SMN1; SMN2 1025/4885POLB 3460/4885

“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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