SCHEMBL5484682

SCHEMBL5484682

CC1(F)C=CC(N2CCC(C(=O)O)CC2)=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 2/20 0.40
NOTUM Q6P988 9/20 0.38
NEK2 P51955 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CASP3 P42574 1/20 0.34
RECQL P46063 1/20 0.34
GALK1 P51570 1/20 0.34

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
SCHEMBL15904697 0.69 KDM4E (0.45) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL16034931 0.65 CCR2 (0.30)
SCHEMBL5484681 0.63 KDM4E (0.36) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL2435778 0.62 APLNR (0.46) KDM4ENPSR1CYP2C19LMNATDP1
SCHEMBL2435779 0.62 APLNR (0.46) KDM4ENPSR1CYP2C19LMNATDP1
SCHEMBL2435781 0.62 APLNR (0.46) KDM4ENPSR1CYP2C19LMNATDP1
SCHEMBL15903964 0.61 NOTUM (0.50) KDM4ECYP2C19NOTUM
SCHEMBL1222301 0.60 NOTUM (0.79) KDM4ECYP2C19NOTUMPOLBAPAF1
SCHEMBL2479136 0.60 NOTUM (0.33) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL5801907 0.60 NOTUM (0.57) KDM4EUSP2HPGDNPSR1HSD17B10

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-8314113-B2 Substituted dihydroquinazolines II AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
US-20070281953-A1 Substituted Dihydroquinazolines II BAYER HEALTHCARE AG (DE) 2007-12-06 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-20070281953-A1 Substituted Dihydroquinazolines II EIF2AK2, QDPR, IRF3 KDM4E 2391/4885USP2 3435/4885HPGD 457/4885

“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.