SCHEMBL355594

SCHEMBL355594

CCC(c1ccccc1)c1c(-c2ccc3c(C(N)=O)cccc3c2C(CC)c2ccccc2)ccc2c(C(N)=O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.45
CYP2C9 P11712 1/20 0.42
AURKA O14965 11/20 0.40
AURKB Q96GD4 3/20 0.40
CXCR2 P25025 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
BCAT2 O15382 1/20 0.37

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
SCHEMBL241943 0.75 RPS6KB1 (0.41) RPS6KB1AURKAAURKBKMT2AATM
SCHEMBL4976973 0.75 RPS6KB1 (0.44) RPS6KB1CXCR2KMT2AKDM4EALDH1A1
SCHEMBL634715 0.73 KMT2A (0.46) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL6135290 0.70 ATM (0.61) AURKAKMT2AATMKDM4EALDH1A1
SCHEMBL353488 0.69 BCAT2 (0.53) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL634722 0.68 ATM (0.55) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL353377 0.68 SIRT2 (0.47) RPS6KB1AURKAKMT2AATMKDM4E
SCHEMBL4563284 0.68 NCOA1 (0.52) RPS6KB1KDM4E
SCHEMBL7916759 0.67 NR4A1 (0.59) CYP2C9KMT2AATMKDM4EALDH1A1
SCHEMBL3351170 0.66 IRAK4 (0.47) RPS6KB1AURKAAURKBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 RPS6KB1 4384/4885CYP2C9 2481/4885AURKA 3871/4885

“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.