SCHEMBL6152072

SCHEMBL6152072

S=C(Nc1ccccc1)Oc1ccc(-n2cnnn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NOTUM Q6P988 1/20 0.51
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ATF4 P18848 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL6152076 0.95 KMT2A (0.56) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL8535957 0.79 KMT2A (0.64) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL1006629 0.74 ALDH1A1 (0.54) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL15623631 0.73 RXFP1 (0.63) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL11851882 0.71 RAB9A (0.68) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL342739 0.71 NOTUM (1.00) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL27633763 0.70 MAPT (0.73) RAB9AKDM4ESMN1; SMN2CYP3A4ALDH1A1
SCHEMBL27654972 0.70 NOX1 (0.56) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL27633944 0.70 CYP1A2 (0.69) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL2730327 0.70 KMT2A (0.67) KMT2ANOTUMLMNACYP3A4ALDH1A1

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
EP-1497281-A4 AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS RANBAXY LAB LTD (IN) 2005-11-02 EP disclosed
US-20050131041-A1 Azole derivatives as antifungal agents RANBAXY LABORATORIES LIMITED (IN) 2005-06-16 US disclosed
EP-1497281-A2 AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES, LTD. (IN) 2005-01-19 EP disclosed
WO-2003086271-A2 AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 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-20050131041-A1 Azole derivatives as antifungal agents ERG28, CYP51A1, CYP3A7 KMT2A 3684/4885RAB9A 3296/4885MEN1 636/4885

“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.