SCHEMBL783395

SCHEMBL783395

CN(C)c1ccc(C(=O)O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
NFKB1 P19838 1/20 0.61
HTT P42858 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
EP300 Q09472 1/20 0.53
KAT2B Q92831 1/20 0.53
KAT8 Q9H7Z6 1/20 0.53
GAA P10253 3/20 0.50
TSHR P16473 3/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
CHEK1 O14757 1/20 0.50
NEK2 P51955 1/20 0.50
LIMK1 P53667 1/20 0.50
DYRK1A Q13627 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
Hydrochloric Acid SCHEMBL27623280 0.98 MAPT (0.59) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL5236125 0.89 GAA (0.52) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL27831942 0.84 LMNA (0.49) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL27812871 0.84 LMNA (0.45) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL4030721 0.83 MAPT (0.59) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL2027797 0.81 GAA (0.56) MAPTSMN1; SMN2LMNAPOLBNFKB1
SCHEMBL28798 0.81 NR4A1 (0.65) MAPTSMN1; SMN2TSHRALDH1A1NR4A1
SCHEMBL29406630 0.81 NR4A1 (0.65) MAPTSMN1; SMN2TSHRALDH1A1NR4A1
SCHEMBL30838413 0.81 NR4A1 (0.65) MAPTSMN1; SMN2TSHRALDH1A1NR4A1
SCHEMBL30838412 0.81 NR4A1 (0.65) MAPTSMN1; SMN2TSHRALDH1A1NR4A1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770182-B Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2014-10-29 CN claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
CN-103923021-B It is suitable for the heteroaryl compound of E1 activating enzyme inhibitors 米伦纽姆医药公司 2018-03-30 CN disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 US disclosed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US disclosed
EP-1242360-A2 EXCIPLEXES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 2002-09-25 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
WO-2001046121-A2 EXCIPLEXES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 2001-06-28 WO disclosed
EP-0810205-B1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-03-28 EP disclosed
CN-1062859-C Substd. 1-naphthoyl guanidines, their preparing method, use and drug contg. them HOECHST AG (DE) 2001-03-07 CN disclosed
CN-1167758-A Substd. 1-naphthoyl guanidines, their preparing method, use and drug contg. them HOECHST AG (DE) 1997-12-17 CN disclosed
EP-0810205-A1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 EP 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 (4 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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 MAPT 4661/4885SMN1; SMN2 3834/4885LMNA 3819/4885
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B MAPT 4802/4885SMN1; SMN2 1212/4885LMNA 159/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MAPT 3076/4885SMN1; SMN2 753/4885LMNA 2893/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MAPT 3076/4885SMN1; SMN2 753/4885LMNA 2893/4885

“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.