SCHEMBL3666552

SCHEMBL3666552

CC(=O)N1C(=O)C(=C(Nc2ccc(CN(C)C)cc2)c2ccc(CCC(=O)O)cc2)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
NR1H4 Q96RI1 1/20 0.36
FFAR1 O14842 7/20 0.36
TNIK Q9UKE5 2/20 0.35
NAMPT P43490 1/20 0.35
FFAR4 Q5NUL3 5/20 0.34
MAP4K4 O95819 1/20 0.34
LIMK2 P53671 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL3666550 1.00 MCHR1 (0.39) MCHR1NR1H4FFAR1TNIKNAMPT
SCHEMBL12901767 0.90 MCHR1 (0.36) MCHR1
SCHEMBL1946326 0.81 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL1946329 0.81 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL228447 0.80 BACE1 (0.41) MCHR1NR1H4FFAR1FFAR4LIMK2
SCHEMBL5314059 0.80 BACE1 (0.41) MCHR1NR1H4FFAR1FFAR4LIMK2
SCHEMBL228448 0.80 BACE1 (0.41) MCHR1NR1H4FFAR1FFAR4LIMK2
Hydrochloric Acid SCHEMBL1943759 0.79 BACE1 (0.41) MCHR1NR1H4FFAR1FFAR4LIMK2
Hydrochloric Acid SCHEMBL1943757 0.79 BACE1 (0.41) MCHR1NR1H4FFAR1FFAR4LIMK2
SCHEMBL3666573 0.79 FFAR4 (0.40) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046395-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
EP-2238107-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2010-10-13 EP disclosed
WO-2009092580-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 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 (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-20110046395-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE FDPS, DHPS, UGT1A6 MCHR1 2374/4885NR1H4 1014/4885FFAR1 1072/4885

“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.