SCHEMBL3478985

SCHEMBL3478985

CC(C)NC(=O)C1=NC=N[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MLYCD O95822 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALOX5 P09917 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
HPGDS O60760 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL1427634 0.64 MLYCD (0.35) MLYCD
SCHEMBL25764995 0.64 MLYCD (0.35) MAPTKDM4EMLYCDSMN1; SMN2HPGD
SCHEMBL8996043 0.63 KDM4E (0.42) MAPTKDM4EMLYCDSMN1; SMN2HPGD
SCHEMBL4443226 0.63 MLYCD (0.53) MAPTMLYCDHPGDALOX15CYP1A2
SCHEMBL8590217 0.63 MLYCD (0.70) MAPTMLYCDSMN1; SMN2HPGDALOX15
SCHEMBL27061718 0.61 HDAC1 (0.60) MAPTMLYCDHPGDALOX15CYP1A2
SCHEMBL163224 0.61 SMN1; SMN2 (0.42) MAPTKDM4EMLYCDSMN1; SMN2ALOX15
SCHEMBL9911465 0.61 P2RX7 (0.54) MAPTKDM4ESMN1; SMN2HPGDALOX15
SCHEMBL163544 0.60 ALDH1A1 (0.41) KDM4ESMN1; SMN2CYP1A2ALOX5ADORA3
SCHEMBL163272 0.60 NPC1 (0.55) MAPTKDM4ESMN1; SMN2HPGDTSHR

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-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 MAPT 1875/4885KDM4E 3990/4885MLYCD 858/4885

“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.