SCHEMBL12963192

SCHEMBL12963192

Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(I)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.69
▸ ALDH1A1 P00352 3/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ HPGD P15428 1/20 0.68
▸ MAPT P10636 12/20 0.68
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ CYP3A4 P08684 3/20 0.67
▸ CYP2C9 P11712 3/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ POLB P06746 3/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.59
▸ PTPN7 P35236 1/20 0.57
▸ DUSP3 P51452 1/20 0.57

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
SCHEMBL13173972 0.91 MAPT (0.78) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL24711450 0.89 MAPT (0.69) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL12963468 0.84 MAPT (0.76) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL12963241 0.83 MAPT (0.67) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL24710841 0.83 MAPT (0.72) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL24710847 0.83 MEN1 (0.74) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL16602324 0.83 TP53 (0.75) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL12963275 0.82 MAPT (0.72) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL12963230 0.81 KDM4E (0.89) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL12963197 0.81 KDM4E (1.00) TP53ALDH1A1NPSR1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — US disclosed
US-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — US disclosed
US-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — US disclosed
US-8993604-B2 Treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2015-03-31 — — US disclosed
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-10-11 — — US disclosed
WO-2011002635-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2011-01-06 — — WO 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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS HAVCR2, TTPA, CHIA TP53 2739/4885ALDH1A1 899/4885NPSR1 3107/4885
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections HAVCR2, TTPA, CHIA TP53 2739/4885ALDH1A1 899/4885NPSR1 3107/4885

“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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