SCHEMBL3601520

SCHEMBL3601520

[O]C(=O)NC1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3601522 0.85 MEN1 (0.36) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL835707 0.84 MTNR1A (0.39) HTR2AKMT2AMEN1CYP2D6LMNA
SCHEMBL7742519 0.84 HTR2A (0.36) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL28106726 0.82 HTR6 (0.32) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL4510567 0.80 HTR6 (0.33) HTR2AHTR6CYP2D6LMNASIGMAR1
SCHEMBL1920068 0.80 SSTR1 (0.36) KMT2AMEN1LMNAKDM4ENFKB1
SCHEMBL4510570 0.76 HTR2A (0.36) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL6542107 0.76 HTR2A (0.40) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL27683847 0.72 KDM4E (0.42) HTR2AHTR6KMT2AMEN1CYP2D6
SCHEMBL28244022 0.72 HTR2A (0.42) HTR2AHTR6KMT2AMEN1CYP2D6

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
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 HTR2A 4074/4885HTR6 2557/4885KMT2A 3612/4885
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound GPR65, GPR34, GPR68 HTR2A 946/4885HTR6 833/4885KMT2A 4247/4885

“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.