SCHEMBL2179764

SCHEMBL2179764

NCCCCC(SSC(CCCCN)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HTR2A P28223 2/20 0.55
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC7A5 Q01650 9/20 0.42
MAOA P21397 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL4403161 0.79 HRH1 (0.86) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL11329969 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL2836377 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL1204774 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL2849801 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL5089222 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL29060377 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL11328616 0.77 HRH1 (0.83) HRH1HTR2ASLC7A5MAOATAAR1
SCHEMBL17280848 0.77 HRH1 (0.43) HRH1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL7373079 0.75 HRH1 (0.59) HRH1HTR2ASLC7A5MAOATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2243805-A1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2010-10-27 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-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product MLLT3, MLLT1, H1-3 HRH1 571/4885HTR2A 3427/4885CYP1A2 1469/4885

“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.