SCHEMBL3760717

SCHEMBL3760717

N#CSC(C#N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
TSHR P16473 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 4/20 0.40
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FAP Q12884 1/20 0.38

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
SCHEMBL3411797 0.82 TSHR (0.49) TSHRCYP2C19CYP1A2CYP2C9LMNA
SCHEMBL4656476 0.78 LOXL2 (0.50) LOXL2DPP4DPP7DPP8DPP9
SCHEMBL3126907 0.76 LMNA (0.49) LOXL2DPP4DPP7DPP8DPP9
SCHEMBL28019035 0.76 LOXL2 (0.47) LOXL2DPP4DPP7DPP8DPP9
SCHEMBL11180042 0.72 MEN1 (0.46) LOXL2DPP4DPP7DPP8DPP9
SCHEMBL609932 0.71 CYP2C19 (0.54) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL10566442 0.71 ESR2 (0.49) LOXL2CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL5648029 0.71 KMT2A (0.43) CYP2C19CYP1A2CYP2C9LMNAPTPRF
SCHEMBL26007581 0.70 LOXL2 (0.49) LOXL2DPP4DPP7DPP8DPP9
SCHEMBL20431221 0.69 LOXL2 (0.52) LOXL2TSHRCYP2C19CYP1A2CYP2C9

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
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 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 (3 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 LOXL2 1315/4885DPP4 3101/4885DPP7 2472/4885
US-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD LOXL2 2909/4885DPP4 318/4885DPP7 245/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 LOXL2 1315/4885DPP4 3101/4885DPP7 2472/4885

“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.