SCHEMBL11866

SCHEMBL11866

Cc1cccc(OCCn2cccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
F2 P00734 1/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
AR P10275 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46

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
Hydrochloric Acid SCHEMBL27749715 0.90 KMT2A (0.59) KMT2ASMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL9020973 0.84 KMT2A (0.52) KMT2ASMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL12449586 0.82 LMNA (0.52) KMT2ASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL14163851 0.80 KMT2A (0.58) KMT2ASMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL14136068 0.77 ALDH1A1 (0.57) KMT2ASMN1; SMN2TSHRTDP1KDM4E
SCHEMBL12382 0.75 KMT2A (0.87) KMT2ASMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL27465 0.75 DRD2 (0.62) KMT2ASMN1; SMN2RAB9ATDP1KDM4E
SCHEMBL29381067 0.75 DRD2 (0.62) KMT2ASMN1; SMN2RAB9ATDP1KDM4E
SCHEMBL3861581 0.74 LTA4H (0.45) KMT2ASMN1; SMN2TSHRRAB9ATDP1
SCHEMBL1355763 0.74 IDO1 (0.44) SMN1; SMN2CYP2C9CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 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-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS NR3C1, NR3C2, MC2R KMT2A 4368/4885SMN1; SMN2 4792/4885CYP2C9 1162/4885

“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.