SCHEMBL1649755

SCHEMBL1649755

[O]CCCCCN1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.75
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
CXCR4 P61073 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5857530 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9077 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4490456 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2092461 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5256004 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL378107 0.95 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL25335245 0.90
SCHEMBL9399 0.90 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1098239 0.90 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9128 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO disclosed
US-20040082757-A1 Echinocandin derivatives, pharmaceutical compositions containing same and use thereof as drugs ASTELLAS PHARMA INC. (JP) 2004-04-29 US disclosed
EP-1366065-A1 ECHINOCANDIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF AS DRUGS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP disclosed
WO-2002068456-A1 ECHINOCANDIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF AS DRUGS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-06 WO disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 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 (3 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 HRH3 38/4885CYP1A2 1060/4885MAPK1 389/4885
US-20040082757-A1 Echinocandin derivatives, pharmaceutical compositions containing same and use thereof as drugs MAN2B1, MAN2A1, ALG1 HRH3 2437/4885CYP1A2 977/4885MAPK1 692/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 HRH3 11/4885CYP1A2 46/4885MAPK1 1374/4885

“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.