SCHEMBL2166901

SCHEMBL2166901

CCCCCC(SOSC(CCCCC)c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.42
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SERPINH1 P50454 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CSNK1E P49674 1/20 0.33

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
SCHEMBL27907190 0.81 HTR2A (0.41) SLC2A1ALDH1A1NPC1RAB9ACSNK1E
SCHEMBL2792350 0.81 HTR2A (0.41) SLC2A1ALDH1A1NPC1RAB9ACSNK1E
SCHEMBL28256515 0.81 HTR2A (0.41) SLC2A1ALDH1A1NPC1RAB9ACSNK1E
SCHEMBL27907178 0.77 POLB (0.41) MAPTALDH1A1LMNAOPRM1
SCHEMBL2167776 0.77 MAPT (0.42) MAPTALDH1A1TSHRLMNACYP1A2
SCHEMBL8096580 0.74 CYP19A1 (0.46) SLC2A1MAPTALDH1A1NPC1RAB9A
SCHEMBL13523887 0.74 CYP19A1 (0.46) SLC2A1MAPTALDH1A1NPC1RAB9A
SCHEMBL8096162 0.74 CYP19A1 (0.43) SLC2A1MAPTALDH1A1NPC1RAB9A
SCHEMBL8096002 0.74 CYP19A1 (0.43) SLC2A1MAPTALDH1A1NPC1RAB9A
SCHEMBL8094576 0.73 CYP19A1 (0.45) SLC2A1MAPTALDH1A1NPC1RAB9A

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 SLC2A1 3995/4885MAPT 2147/4885ALDH1A1 1777/4885

“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.

Send feedback