SCHEMBL1160195

SCHEMBL1160195

O=[C]c1ccc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PRKCI P41743 1/20 0.40
CYP3A4 P08684 1/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
RAD52 P43351 1/20 0.39
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
MMP12 P39900 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4756898 0.85 PRKCI (0.53) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10720 0.81 IMPDH2 (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL1401379 0.81 MAPT (0.42) MAPTKDM4EALDH1A1TDP1APEX1
Hydrochloric Acid SCHEMBL3671410 0.79 IMPDH2 (0.46) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL16150680 0.75 GABRA1 (0.38) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL22076879 0.74 MAPT (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL6008269 0.73 MAPT (0.50) MAPTKDM4EALDH1A1TDP1APEX1
Trifluoroacetic Acid SCHEMBL14638489 0.72 PIN1 (0.42) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL5405534 0.69 MAPT (0.47) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL15413217 0.69 PARP1 (0.56) MAPTKDM4EALDH1A1TDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864048-A A kind of preparation method of dabigatran etexilate methanesulfonate 天方药业有限公司 2018-11-23 CN claimed
CN-108864047-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 河南师范大学 2018-11-23 CN claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
CN-109836412-A A kind of preparation method of dabigatran etexilate methanesulfonate 辽宁博美医药科技有限公司 2019-06-04 CN disclosed
CN-108864048-A A kind of preparation method of dabigatran etexilate methanesulfonate 天方药业有限公司 2018-11-23 CN disclosed
CN-108864047-A A kind of preparation method of non-peptide batroxobin inhibitor dabigatran etcxilate 河南师范大学 2018-11-23 CN disclosed
CN-108864048-A A kind of preparation method of dabigatran etexilate methanesulfonate 天方药业有限公司 2018-11-23 CN disclosed
US-9868108-B2 Specific sorbent for binding proteins and peptides, and separation method using the same INSTRACTION GMBH (DE) 2018-01-16 US disclosed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-20170106349-A1 SPECIFIC SORBENT FOR BINDING PROTEINS AND PEPTIDES, AND SEPARATION METHOD USING THE SAME INSTRACTION GMBH (DE) 2017-04-20 US disclosed
US-6589915-B1 The invention relates to cyclohexenone derivatives of benzo-condensed, unsaturated 5-ring nitrogen heterocycles of general formula (I) wherein X represents N or a group C-R3, Y represents O, S, SO, SO2 or NR4 or X-Y represent S BASF AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 MAPT 4059/4885KDM4E 2614/4885ALDH1A1 622/4885

“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.