SCHEMBL17147643

SCHEMBL17147643

COC(=O)Cc1cn(C(C)=O)c2c(F)cc(F)c(OC)c12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.37
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
TUBB1 Q9H4B7 2/20 0.32
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MEP1B Q16820 1/20 0.30
MMP2 P08253 1/20 0.30
RORC P51449 1/20 0.30
ACACB O00763 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL12559141 0.89 AKR1C3 (0.35) AKR1C3MTNR1AMTNR1BHPGDMEP1B
SCHEMBL1163084 0.79 MEN1 (0.35) KDM4EALDH1A1
SCHEMBL1163394 0.79 AKR1C3 (0.36) AKR1C3GAAALDH1A1HPGD
SCHEMBL12595704 0.78 MTNR1A (0.32) MTNR1AMTNR1BKDM4EMEP1B
SCHEMBL12559042 0.74 MTNR1A (0.39) AKR1C3MTNR1AMTNR1BHPGD
SCHEMBL31063501 0.67 HSD17B10 (0.38) MTNR1AMTNR1BTUBB1HSP90AB1KDM4E
SCHEMBL30822592 0.67 HSP90AB1 (0.38) AKR1C3MTNR1AMTNR1BTUBB1HSP90AB1
SCHEMBL2126802 0.67 HSP90AB1 (0.56) TUBB1HSP90AB1GAAALDH1A1ACACB
SCHEMBL1163373 0.67 HSD17B10 (0.35) AKR1C3HSP90AB1GAAALDH1A1HPGD
SCHEMBL12559178 0.67 THRB (0.39) AKR1C3GAAALDH1A1HPGD

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-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 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-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT AKR1C3 1365/4885MTNR1A 65/4885MTNR1B 36/4885

“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.