SCHEMBL70433

SCHEMBL70433

COC(=O)c1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.69
ALDH1A1 P00352 3/20 0.68
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GLA P06280 1/20 0.55
GPR183 P32249 1/20 0.55
MLYCD O95822 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL23675251 0.98 HPGD (0.71) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4620335 0.96 HPGD (0.73) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8658563 0.92 HPGD (0.68) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4622409 0.89 HPGD (0.64) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL17559346 0.86 HPGD (0.61) HPGDALDH1A1KDM4EKMT2AGPR183
SCHEMBL17559372 0.86 HPGD (0.61) HPGDALDH1A1KMT2AGPR183
SCHEMBL64495 0.86 HPGD (0.78) HPGDALDH1A1NPC1KDM4EMEN1
SCHEMBL17559469 0.86 HPGD (0.61) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL7422569 0.84 HPGD (0.74) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL16845194 0.84 HPGD (0.56) HPGDALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110759889-B 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2022-05-20 CN disclosed
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 US disclosed
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 US disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 US disclosed
CN-110759889-A 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2020-02-07 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HPGD 3242/4885ALDH1A1 4310/4885RAB9A 3871/4885
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 HPGD 3353/4885ALDH1A1 3784/4885RAB9A 3199/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HPGD 1610/4885ALDH1A1 3430/4885RAB9A 3368/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 HPGD 3242/4885ALDH1A1 3696/4885RAB9A 3239/4885

“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.