SCHEMBL12344487

SCHEMBL12344487

CCCCONC(=N)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAS2R38 P59533 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
CNR2 P34972 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
CES2 O00748 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
CRBN Q96SW2 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL14907190 0.89 CRBN (0.34) ALDH1A1TAS2R38KDM4EKMT2ACRBN
SCHEMBL16799118 0.81 MAPT (0.35) ALDH1A1MAPTRAB9ANPSR1TSHR
SCHEMBL4855767 0.80
SCHEMBL18437995 0.76 ADRB2 (0.37) ALDH1A1MAPTRAB9ANPSR1ATM
SCHEMBL12343969 0.76 ADRB2 (0.37) ALDH1A1MAPTRAB9ANPSR1ATM
SCHEMBL12343970 0.76
SCHEMBL27929676 0.74 SPHK2 (0.41) MAPTKMT2ACNR2TRPV1ACHE
SCHEMBL4650512 0.74 CES2 (0.47) ALDH1A1CNR2TRPV1CES2TSHR
SCHEMBL1757357 0.74
SCHEMBL18525732 0.72 CES2 (0.50) CNR2TRPV1CES2TSHRACHE

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
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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 (2 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B ALDH1A1 2961/4885MAPT 105/4885RAB9A 1487/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 ALDH1A1 2827/4885MAPT 122/4885RAB9A 1590/4885

“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.