SCHEMBL6933112

SCHEMBL6933112

N=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL9701780 0.90 ALDH1A1 (0.58) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL7129356 0.90 ALDH1A1 (0.54) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL8634915 0.87 ALDH1A1 (0.55) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL6651796 0.87 ALDH1A1 (0.50) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL5674172 0.87 RAB9A (0.57) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL5446555 0.87 ALDH1A1 (0.76) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL3070358 0.86 NPC1 (0.67) ALDH1A1HDAC2HDAC8HDAC6NPC1
SCHEMBL76489 0.85 ALDH1A1 (0.67) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL3069331 0.84 ALDH1A1 (0.55) ALDH1A1HDAC3CA12CA1IDO1
SCHEMBL11400756 0.82 ALDH1A1 (0.46) ALDH1A1HDAC3CA12CA1IDO1

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-0640587-B1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AG (DE) 1999-12-29 EP claimed
CN-112300459-A Rubber composition for tire tread and tire produced using the same 韩国轮胎与科技株式会社 2021-02-02 CN disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
US-6667356-B2 Including an n-amidinobenzamide derivative; heat aging resistance BRIDGESTONE CORPORATION (JP) 2003-12-23 US disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-20030134947-A1 Containing imine, amidine or guanidine antioxidants to improve heat aging resistance; may be substituted by acyl, thioacyl or additional imine groups BRIDGESTONE CORPORATION, OTSUKA CHEMICAL CO., LTD. 2003-07-17 US disclosed
US-6515055-B1 Excellent in heat aging resistance due to addition of compounds exemplified by N'-(N-benzoylamidino) benzoic acid hydrazide BRIDGESTONE CORPORATION (JP) 2003-02-04 US disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1101793-A1 Heat ageing resistant rubber composition Bridgestone Corporation (JP) 2001-05-23 EP disclosed
EP-0640587-B1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AG (DE) 1999-12-29 EP disclosed
EP-0921117-A2 Acylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 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 (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-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 ALDH1A1 522/4885HDAC3 2392/4885CA12 1603/4885

“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.