SCHEMBL2203522

SCHEMBL2203522

O=C1Cc2cc(S(=O)(=O)NCC3CC3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.59
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
PARG Q86W56 1/20 0.53
PKM P14618 2/20 0.53
IDO1 P14902 1/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4231530 0.94 SMYD3 (0.57) SMYD3HTR2CHTR2BPARGPKM
SCHEMBL4231528 0.92 SMYD3 (0.57) SMYD3HTR2CHTR2BPARGPKM
SCHEMBL4221206 0.82 BRD4 (0.66) SMYD3PKMIDO1LMNAMAPT
SCHEMBL5843373 0.81 SMYD3 (0.53) SMYD3PKMIDO1LMNAMAPT
SCHEMBL4896390 0.80 PKM (0.57) SMYD3HTR2CHTR2BPKMIDO1
SCHEMBL5843084 0.80 SMYD3 (0.88) SMYD3PARGPKMIDO1MAPT
SCHEMBL22400694 0.79 TP53 (0.70) LMNATP53MAPTPOLB
SCHEMBL24152814 0.79 ATM (0.64) SMYD3PKMIDO1LMNAMAPT
SCHEMBL5840708 0.79 MAOB (0.56) SMYD3PKMIDO1LMNATP53
SCHEMBL4907229 0.79 POLB (0.60) SMYD3PKMIDO1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981880-B2 3-(aminomethyliden) 2-indolinone derivates and their use as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
EP-2016049-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATIVES AND THEIR USE AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-01-21 EP disclosed
WO-2007122219-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATIVES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-01 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-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS MKI67, CCNI, CCNA1 SMYD3 2588/4885HTR2C 441/4885HTR2B 420/4885

“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.