SCHEMBL13061919

SCHEMBL13061919

COCCNC(=NC(=O)c1ccc2c3ccccc3n(Cc3cccs3)c2c1)NCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL3777210 0.80 HTR2B (0.46) KDM4EKMT2AALDH1A1HSD17B10HDAC1
SCHEMBL13011371 0.80 DNMT1 (0.50) PTGER4KDM4EKMT2AALDH1A1HDAC1
SCHEMBL13011375 0.76 ALDH1A1 (0.49) HPGDKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL13011911 0.73 NPC1 (0.46) HPGDKDM4ECYP1A2CYP2C19LMNA
SCHEMBL13635138 0.69 HTR2B (0.40) HPGDKMT2ALMNAALDH1A1HDAC1
SCHEMBL13011775 0.68 HTR2B (0.46) HDAC1HDAC6NPC1
SCHEMBL13011660 0.67 MEN1 (0.47) PTGER4HPGDKDM4EKMT2AALDH1A1
SCHEMBL13011776 0.66 HTR2B (0.41) NPC1
SCHEMBL13062034 0.66 ALDH1A1 (0.40) PTGER4HPGDKDM4EABL1CYP1A2
SCHEMBL13061912 0.65 KDM4E (0.44) HPGDKDM4ELMNAALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E PTGER4 1418/4885HPGD 960/4885KDM4E 731/4885

“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.

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