SCHEMBL15536686

SCHEMBL15536686

Cc1ccc(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 4/20 0.45
ADORA2A P29274 2/20 0.45
ADRA2A P08913 1/20 0.45
HTT P42858 1/20 0.45
GRM6 O15303 1/20 0.44
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL22198972 0.86 HSD17B10 (0.53) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL21189086 0.85 HSD17B10 (0.49) TSHRHSD17B10ADORA2AADRA2AHTT
SCHEMBL27909136 0.84 ALDH1A1 (0.47) TSHRHSD17B10ADORA2AADRA2AHTT
SCHEMBL29914867 0.84 ALDH1A1 (0.47) TSHRHSD17B10ADORA2AADRA2AHTT
SCHEMBL15536122 0.80 TSHR (0.48) TSHRALDH1A1KDM4EHPGDMEN1
SCHEMBL15536125 0.79 HSD17B10 (0.46) TSHRHSD17B10ADORA2AADRA2AHTT
SCHEMBL2186551 0.79 TSHR (0.45) TSHRHSD17B10ADORA2AADRA2AHTT
SCHEMBL16122532 0.78 CYP11B1 (0.44) HSD17B10ADORA2AADRA2AHTTALDH1A1
SCHEMBL5762808 0.78 ALDH1A1 (0.42) HSD17B10ADORA2AADRA2AHTTGRM6
SCHEMBL22185645 0.77 HSD17B10 (0.42) HSD17B10ADORA2AADRA2AHTTGRM6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP claimed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO claimed
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 TSHR 3246/4885HSD17B10 2289/4885ADORA2A 3581/4885

“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.