SCHEMBL16637857

SCHEMBL16637857

COCc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
RYR2 Q92736 1/20 0.46
PKM P14618 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
STAT3 P40763 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9757230 0.84 HDAC1 (0.51) HDAC1PKMALDH1A1POLBHTT
SCHEMBL14640610 0.81 RYR2 (0.65) HDAC1RYR2PKMKDM4EHTT
SCHEMBL11773546 0.80 PKM (0.61) HDAC1RYR2PKMALDH1A1POLB
SCHEMBL9757496 0.78 HDAC1 (0.54) HDAC1PKMALDH1A1POLBLMNA
SCHEMBL9602776 0.77 PKM (0.64) RYR2PKMALDH1A1POLBHTT
SCHEMBL9757292 0.77 CA12 (0.49) HDAC1PKMALDH1A1KDM4EHTT
SCHEMBL382362 0.76 HDAC1 (0.54) HDAC1PKMALDH1A1KDM4EPOLB
SCHEMBL7006375 0.76 HDAC1 (0.57) HDAC1RYR2PKMALDH1A1POLB
SCHEMBL9757210 0.76 HDAC1 (0.54) HDAC1PKMALDH1A1POLBHTT
SCHEMBL1026665 0.75 HDAC1 (0.57) HDAC1ALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA HDAC1 721/4885RYR2 2978/4885PKM 1790/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA HDAC1 721/4885RYR2 2978/4885PKM 1790/4885

“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.