SCHEMBL14697644

SCHEMBL14697644

[N-]=[N+]=NCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.63
ACHE P22303 4/20 0.63
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
CNR2 P34972 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5239436 0.81 BCHE (0.78) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL15908348 0.80 MEN1 (0.75) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL11171388 0.79 BCHE (0.75) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL14697847 0.79 NPC1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2086851 0.77 BCHE (0.67) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL8428842 0.77 MEN1 (0.78) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL4452339 0.76 BCHE (0.72) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL8870414 0.75 NOX1 (0.73) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL14291953 0.73 BCHE (0.89) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL28628271 0.73 BCHE (1.00) BCHEACHEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
EP-2744808-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Mount Sinai School of Medicine (US) 2014-06-25 EP disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 WO disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 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 (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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 BCHE 4220/4885ACHE 4346/4885MEN1 3926/4885

“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.