SCHEMBL900835

SCHEMBL900835

Cc1cccc2sc(OC3CCNCC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ HTR1A P08908 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HRH1 P35367 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2C P28335 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ NMT1 P30419 1/20 0.36

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
SCHEMBL900950 0.82 ACHE (0.45) ALDH1A1MAPTNPC1TP53TSHR
SCHEMBL7963421 0.77 MEN1 (0.60) ALDH1A1HTR1ASLC6A2SLC6A4MAPT
SCHEMBL900836 0.77 HTR1A (0.45) HTR1ASLC6A2SLC6A4HRH1
SCHEMBL14282259 0.77 MEN1 (0.59) HTR1ASLC6A2HRH1SMN1; SMN2MEN1
SCHEMBL8273583 0.76 ALDH1A1 (0.43) ALDH1A1MAPTNPC1TP53TSHR
SCHEMBL11321647 0.74 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL900951 0.72 HTR1A (0.43) HTR1ASLC6A2SLC6A4HRH1MAPT
SCHEMBL28006814 0.72 HTR1A (0.66) HTR1ASLC6A2SLC6A4HRH1HTR2C
Hydrochloric Acid SCHEMBL16650666 0.71 HTR1A (0.64) HTR1ASLC6A2SLC6A4HRH1HTR2C
SCHEMBL901359 0.70 SLC6A2 (0.41) HTR1ASLC6A2SLC6A4HRH1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 — — US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 — — US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 — — US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 — — US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 — — EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 — — 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 (2 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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ALDH1A1 2893/4885HTR1A 88/4885SLC6A2 1023/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ALDH1A1 1305/4885HTR1A 88/4885SLC6A2 1022/4885

“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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