SCHEMBL1159136

SCHEMBL1159136

CCCCCn1nnnc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GRM2 Q14416 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.36
HCAR3 P49019 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4406940 0.98 SLC9A1 (0.44) SLC9A1GRM2KMT2AMEN1HTT
SCHEMBL4416327 0.94 GRM2 (0.44) SLC9A1GRM2KMT2AMEN1HTT
SCHEMBL4408930 0.85
SCHEMBL2088514 0.78 P2RX7 (0.46) SLC9A1KMT2AMEN1HTTLMNA
SCHEMBL544848 0.78 CYP1A2 (0.55) SLC9A1KMT2AMEN1HTTLMNA
SCHEMBL4404458 0.76
SCHEMBL1027818 0.76 CYP1A2 (0.53) SLC9A1KMT2AMEN1HTTCYP1A2
SCHEMBL9872492 0.76 CYP1A2 (0.53) SLC9A1KMT2AMEN1HTTCYP1A2
SCHEMBL2051081 0.76 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTLMNA
SCHEMBL4405197 0.76 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
CN-1533400-A Probes, system and methods for drug discovery ����˹̩����ҩ��˾ 2004-09-29 CN disclosed
EP-1383799-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TransTech Pharma Inc. (US) 2004-01-28 EP disclosed
WO-2003084997-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TRANSTECH PHARMA, INC. (US) 2003-10-16 WO disclosed
US-20030125315-A1 Probes, systems, and methods for drug discovery TRANSTECH PHARMA, INC. 2003-07-03 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-20030125315-A1 Probes, systems, and methods for drug discovery ABCG2, EZR, PAICS SLC9A1 4778/4885GRM2 4544/4885KMT2A 4273/4885

“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.