SCHEMBL3607033

SCHEMBL3607033

O=C(NC1CCCNC1)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
SRD5A2 P31213 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
FLT3 P36888 1/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
MAOB P27338 1/20 0.49
GHSR Q92847 3/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
MLLT1 Q03111 1/20 0.47

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
SCHEMBL3607029 1.00 KDM4E (0.59) KDM4ECYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL3596423 0.81 KDM4E (0.59) KDM4ECYP1A2HDAC1HDAC2ITGB3
SCHEMBL3596425 0.81 KDM4E (0.59) KDM4ECYP1A2HDAC1HDAC2ITGB3
SCHEMBL3320273 0.80 MLLT1 (0.54) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL3607328 0.80 MLLT1 (0.54) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL3320269 0.80 MLLT1 (0.54) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5114489 0.77 KDM4E (0.75) KDM4ECYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL3610362 0.77 KDM4E (0.56) KDM4EALDH1A1PDGFRBPDGFRAHDAC1
SCHEMBL3610359 0.77 KDM4E (0.56) KDM4EALDH1A1PDGFRBPDGFRAHDAC1
SCHEMBL24470565 0.76 CASP3 (0.59) KDM4EALDH1A1MAOB

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT KDM4E 963/4885CYP1A2 234/4885ALDH1A1 513/4885

“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.