SCHEMBL1757701

SCHEMBL1757701

COC(=O)Cn1c(C)cc2c([N+](=O)[O-])cccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
CCR2 P41597 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL13206688 0.89 RAB9A (0.60) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL13206685 0.86 CCR2 (0.46) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL2979855 0.86 CCR2 (0.52) KDM4ESMN1; SMN2MAPTLMNACCR2
SCHEMBL27695738 0.78 ALDH1A1 (0.44) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL14875760 0.77 ALDH1A1 (0.52) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL260808 0.76 KDM4E (0.50) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL27715694 0.74 BCL9 (0.39) SMN1; SMN2MAPTLMNACCR2KMT2A
SCHEMBL14538682 0.73 KDM4E (0.47) RAB9AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL27695721 0.73 TDP1 (0.41) KDM4ESMN1; SMN2MAPTCCR2KMT2A
SCHEMBL1757508 0.73 KDM4E (0.59) RAB9AKDM4ESMN1; SMN2MAPTLMNA

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
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 RAB9A 2524/4885KDM4E 4693/4885SMN1; SMN2 4493/4885

“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.