SCHEMBL3111428

SCHEMBL3111428

CN(CCNC(=O)c1cc[c]cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ AAK1 Q2M2I8 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ GPR88 Q9GZN0 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TMEM97 Q5BJF2 3/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL3034762 0.92 HPGD (0.43) FPR3FPR2ALDH1A1TMEM97SIGMAR1
SCHEMBL14679115 0.85 NPC1 (0.51) ALDH1A1LMNACYP2C19KDM4ENPC1
SCHEMBL1408696 0.84 ALDH1A1 (0.57) FPR3FPR2ALDH1A1AAK1LMNA
SCHEMBL16380444 0.84 TMEM97 (0.53) ALDH1A1TSHRCYP2C19BLMPMP22
SCHEMBL2749396 0.83 MCHR1 (0.52) FPR3FPR2ALDH1A1MAPK1TMEM97
SCHEMBL31059259 0.82 ALDH1A1 (0.43) FPR3FPR2ALDH1A1AAK1TMEM97
SCHEMBL10076552 0.79 CA12 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3040743 0.79 DGAT1 (0.49) ALDH1A1LMNA
SCHEMBL395691 0.78 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1SLC22A2SLC22A1
SCHEMBL1687186 0.78 KMT2A (0.41) FPR3FPR2ALDH1A1AAK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 — — US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 — — 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET FPR3 3522/4885FPR2 3482/4885ALDH1A1 851/4885

“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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