SCHEMBL1233684

SCHEMBL1233684

Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.60
KCNQ2 O43526 6/20 0.60
KCNE1 P15382 6/20 0.60
KCNQ1 P51787 6/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
PTGS1 P23219 4/20 0.53
MDM4 O15151 1/20 0.53
TP53 P04637 1/20 0.53
MDM2 Q00987 1/20 0.53
HDAC1 Q13547 1/20 0.49
LIPE Q05469 1/20 0.48
GRM4 Q14833 1/20 0.47
BACE1 P56817 1/20 0.47
KDR P35968 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2302927 0.89 ALDH1A1 (0.64) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL1233691 0.84 HDAC1 (0.68) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL1235368 0.83 HDAC1 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL14967989 0.81 PTGS1 (0.51) PTGS1HDAC1LIPEKMT2A
SCHEMBL24178169 0.81 ALDH1A1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL6705957 0.81 KCNMA1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL1235341 0.81 RAB9A (0.63) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL1236023 0.81 PTGS1 (0.51) PTGS1HDAC1KMT2A
SCHEMBL360849 0.80 PTGS1 (0.49) PTGS1HDAC1LIPECYP1A2CYP2C19
SCHEMBL14453684 0.79 PTGS1 (0.61) PTGS1HDAC1KDRRAB9A

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-8158656-B2 2-indolinone derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-04-17 US disclosed
US-8158656-B2 2-indolinone derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-04-17 US disclosed
US-8158656-B2 2-indolinone derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-04-17 US disclosed
EP-2285376-A1 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS Chipscreen Biosciences Ltd. (CN) 2011-02-23 EP disclosed
US-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-12-03 US disclosed
US-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-12-03 US disclosed
US-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-12-03 US disclosed
WO-2009140164-A1 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES LTD. (CN) 2009-11-19 WO disclosed
WO-2009140164-A1 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES LTD. (CN) 2009-11-19 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-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KCNQ3 3519/4885KCNQ2 2939/4885KCNE1 3090/4885

“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.