SCHEMBL5700329

SCHEMBL5700329

C=C(C)c1cc(Cl)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CNR2 P34972 1/20 0.36
GRM5 P41594 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29102906 0.83 MAPT (0.53) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL13130699 0.79 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL14033138 0.79 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL899382 0.79 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL12282452 0.79 KDM4C (0.46) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL21413335 0.79 KDM4C (0.46) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL9444934 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4CKMT2ALMNA
SCHEMBL14367970 0.77 UHRF1 (0.48) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL21688376 0.76 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1KDM4CNPC1
SCHEMBL16139802 0.76 KDM4E (0.53) MAPTALDH1A1L3MBTL1KDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
WO-2011035855-A1 PYRIDINYL-IMIDAZOLONE DERIVATIVES FOR INHIBITING PI3 KINASES MERCK PATENT GMBH (DE) 2011-03-31 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP disclosed
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 MAPT 4407/4885ALDH1A1 3993/4885L3MBTL1 3393/4885

“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.