SCHEMBL6448239

SCHEMBL6448239

Cc1nc2cc(-c3ccc(C=O)cc3)cc(C34CC5CC(CC(C5)C3)C4)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.39
HDAC11 Q96DB2 6/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HDAC1 Q13547 2/20 0.37
PTPN11 Q06124 5/20 0.35
NR0B2 Q15466 2/20 0.35
RARG P13631 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RARA P10276 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6452220 0.88 BRD4 (0.36) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6449210 0.87 IKBKB (0.33) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6449408 0.84 PTPN11 (0.53) PTPN11HPGDPTPRCAP
SCHEMBL6449412 0.84 PTPN11 (0.53) PTPN11HPGDPTPRCAP
SCHEMBL6452478 0.82 KCNA3 (0.34) RARBHDAC11HDAC2PTPN11NR0B2
SCHEMBL6449756 0.76 PTPN11 (0.49) PTPN11MEN1KMT2APTPRCAP
SCHEMBL6449755 0.76 PTPN11 (0.49) PTPN11MEN1KMT2APTPRCAP
SCHEMBL6453592 0.74 BRD4 (0.35) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6448150 0.74 PTPN11 (0.47) PTPN11KDM4EHPGDSMN1; SMN2PTPRCAP
SCHEMBL6448147 0.74 PTPN11 (0.47) PTPN11KDM4EHPGDSMN1; SMN2PTPRCAP

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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 RARB 401/4885HDAC11 14/4885HDAC7 50/4885

“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.