SCHEMBL2106827

SCHEMBL2106827

CCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3CCCCC3C2=O)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ PPOX P50336 2/20 0.43
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL6703114 1.00 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7151795 0.83 RXFP1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1808982 0.83 RXFP1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8526452 0.82 ALDH1A1 (0.45) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL39177 0.82 MAPT (0.37) MAPTALDH1A1PPOXKMT2AMAPK1
SCHEMBL5467830 0.82 MAPT (0.37) MAPTALDH1A1PPOXKMT2AMAPK1
SCHEMBL7967224 0.82 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7967226 0.82 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7729348 0.80 KMT2A (0.44) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL7729350 0.80 KMT2A (0.44) MAPTALDH1A1LMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243199-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2014-08-28 — — US disclosed
US-8158558-B2 Synergistic mixture of a mesosulfuron or iodinosulfuron ester of given formula, with another herbicide selected from a list of 23 that includes picolinafen, flucarbazone, procarbazone and cinidon-ethyl; controlling weeds in monocot crops BAYER CROPSCIENCE GMBH (DE) 2012-04-17 — — US disclosed
US-7368413-B2 Herbicidal composition and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2008-05-06 — — US disclosed
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides BAYER CROPSCIENCE GMBH (DE) 2005-03-31 — — US disclosed
WO-2002080680-A2 SYNERGISTIC ACTIVE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2002-10-17 — — WO disclosed
WO-2002080679-A2 SYNERGISTIC ACTIVE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2002-10-17 — — WO 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 (2 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-20050070437-A1 Herbicide combinations comprising specific sulfonamides DDT, B2M, MTX2 MAPT 4483/4885ALDH1A1 794/4885SMN1; SMN2 4360/4885
US-20140243199-A1 HERBICIDE COMBINATIONS COMPRISING SPECIFIC SULFONYLUREAS SLC16A3, SLC16A7, MTX2 MAPT 4740/4885ALDH1A1 651/4885SMN1; SMN2 4316/4885

“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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