SCHEMBL5585378

SCHEMBL5585378

CCCN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
AVPR1B P47901 1/20 0.39
KARS1 Q15046 1/20 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
SCHEMBL5585658 0.91 KMT2A (0.46) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5999838 0.89 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585466 0.89 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585799 0.88 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585509 0.88 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5585627 0.88 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585411 0.86 FFAR1 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585458 0.86 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
Sulfuric Acid SCHEMBL6380968 0.86 HRH3 (0.42) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5585571 0.85 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 HRH3 840/4885SMN1; SMN2 4461/4885ALDH1A1 2229/4885

“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.