SCHEMBL3206636

SCHEMBL3206636

Cc1cc(Br)cc(C(=O)NC(C)C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
CHRM4 P08173 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37

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
SCHEMBL14734834 0.83 SMYD3 (0.41) LMNAKDM4ENPC1RAB9AMAPK1
SCHEMBL17238837 0.82 MAOA (0.34) ALOX5MAOAMAOBALDH1A1HTT
SCHEMBL634151 0.81 KDM4E (0.42) ALDH1A1HTTKDM4EPKMPOLB
SCHEMBL2489605 0.81 ALOX5 (0.46) ALOX5ALDH1A1HTTCHRM4KDM4E
SCHEMBL759268 0.78 KDM4E (0.47) ALDH1A1KDM4EPKMPOLBHPGD
SCHEMBL30784123 0.77 ALOX5 (0.46) ALOX5MAOAMAOBALDH1A1HTT
SCHEMBL29101565 0.77 KDM4E (0.39) ALDH1A1LMNAKDM4EPKMHPGD
SCHEMBL31431699 0.77 ALOX5 (0.43) ALOX5MAOAMAOBALDH1A1CHRM4
SCHEMBL23243625 0.77 ALDH1A1 (0.57) ALOX5MAOAMAOBALDH1A1HTT
SCHEMBL26905965 0.77 HTT (0.54) ALOX5MAOAMAOBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467988-B1 Quinazoline(di)ones for invertebrate pest control DU PONT (US) 2013-07-17 EP disclosed
US-7683201-B2 Quinazoline(di)ones for invertebrate pest control E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
CN-101659655-A Pyrazole amide derivative and application thereof UNIV NANKAI 2010-03-03 CN disclosed
CN-101134755-A Quinazoline(di) ones for invertebrate pest control DU PONT (US) 2008-03-05 CN disclosed
CN-100349890-C Quinazolinone (di) ones for controlling invertebrate pests DU PONT (US) 2007-11-21 CN disclosed
US-7241767-B2 Quinazoline(di)ones for invertebrate pest control E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-10 US disclosed
US-20060194961-A1 Quinazoline(di)ones for invertebrate pest control FMC CORPORATION 2006-08-31 US disclosed
US-20050124600-A1 Quinazoline(di)ones for invertebrate pest control E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 US disclosed
CN-1620450-A Quinazolinone (di) ones for controlling invertebrate pests DU PONT (US) 2005-05-25 CN disclosed
EP-1467988-A1 QUINAZOLINE(DI)ONES FOR INVERTEBRATE PEST CONTROL E. I. du Pont de Nemours and Company (US) 2004-10-20 EP disclosed
WO-2003062226-A1 QUINAZOLINE(DI) ONES FOR INVERTEBRATE PEST CONTROL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 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-20050124600-A1 Quinazoline(di)ones for invertebrate pest control DDT, BRS3, F12 ALOX5 1245/4885MAOA 837/4885MAOB 351/4885
US-20060194961-A1 Quinazoline(di)ones for invertebrate pest control F12, DDT, SBK3 ALOX5 1275/4885MAOA 1294/4885MAOB 677/4885

“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.