SCHEMBL10160158

SCHEMBL10160158

O=C(O)c1cccc(CCNC(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
KDM5A P29375 1/20 0.66
KDM5C P41229 1/20 0.66
KDM5B Q9UGL1 1/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
MYC P01106 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL11445651 0.90 NPC1 (0.59) KDM4EKDM5AKDM5CKDM5BHDAC2
SCHEMBL751214 0.86 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL5724291 0.86 CA1 (0.69) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL10160200 0.85 KDM5B (0.69) KDM5BHDAC2HDAC8HDAC6HDAC3
SCHEMBL7282271 0.85 HDAC2 (0.78) KDM4EKDM5AKDM5CKDM5BHDAC2
Hydrochloric Acid SCHEMBL28193721 0.84 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL13895347 0.84 RAB9A (0.65) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL10160181 0.84 HDAC2 (0.62) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL28699553 0.84 RAB9A (0.83) KDM4EHDAC2HDAC8HDAC6HDAC3
SCHEMBL9754524 0.84 HDAC2 (0.62) HDAC2HDAC8HDAC6HDAC3HDAC4

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
CN-105008355-B Azaindole derivatives as protein kinase inhibitors 奥里巴斯医药公司 2017-08-04 CN disclosed
CN-105008355-A Azaindole derivatives as protein kinase inhibitors ORIBASE PHARMA 2015-10-28 CN disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 KDM4E 571/4885KDM5A 917/4885KDM5C 1389/4885

“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.