SCHEMBL4656476

SCHEMBL4656476

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
TSHR P16473 1/20 0.47
IDO1 P14902 3/20 0.46
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KCNJ1 P48048 3/20 0.44
KCNH2 Q12809 3/20 0.44
LMNA P02545 1/20 0.44
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 1/20 0.42
FAP Q12884 1/20 0.41
PYCR1 P32322 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3126907 0.82 LMNA (0.49) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL28019035 0.82 LOXL2 (0.47) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL11180042 0.78 MEN1 (0.46) LOXL2TSHRCYP2C19ALDH1A1LMNA
SCHEMBL3760717 0.78 LOXL2 (0.43) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL10566442 0.77 ESR2 (0.49) LOXL2CYP2C19ALDH1A1LMNACYP1A2
SCHEMBL26007581 0.76 LOXL2 (0.49) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL1023274 0.75 TSHR (0.57) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL11567222 0.75 LOXL2 (0.55) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL398128 0.75 GAA (0.59) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL10866449 0.75 LMNA (0.55) LOXL2TSHRIDO1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO disclosed
US-5220000-A Bifunctional-bis-quinolinols, and their metal chelates THEODOROPULOS SPYROS (US) 1993-06-15 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 (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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 LOXL2 2344/4885TSHR 2542/4885IDO1 382/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 LOXL2 1733/4885TSHR 3805/4885IDO1 278/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 LOXL2 2261/4885TSHR 3343/4885IDO1 389/4885

“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.