SCHEMBL21652213

SCHEMBL21652213

Cn1cc(C(=O)Nc2cccc(C(C)(C)C)c2)c(C(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
TRPV4 Q9HBA0 6/20 0.45
TSHR P16473 1/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22029356 0.86 SMN1; SMN2 (0.50) TSHRHTTNAMPTSMN1; SMN2MEN1
SCHEMBL18106786 0.85 LMNA (0.48) HTTNAMPTTP53SMN1; SMN2MEN1
SCHEMBL22029381 0.85 ALDH1A1 (0.53) RXFP1NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL4930458 0.83 RAB9A (0.50) HTTNAMPTTP53SMN1; SMN2MEN1
SCHEMBL20584163 0.83 CNR2 (0.47) NAMPTSMN1; SMN2
SCHEMBL21652175 0.83 LMNA (0.62) P2RX1HDAC3HDAC8HDAC6RXFP1
SCHEMBL21652221 0.82 CCR1 (0.46) NR1H4
SCHEMBL20543320 0.82 NAMPT (0.42) NAMPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL18117496 0.82 NPC1 (0.49) TSHRTP53SMN1; SMN2MEN1KMT2A
SCHEMBL15561466 0.78 ALDH1A1 (0.54) NAMPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 P2RX1 4712/4885HDAC3 3413/4885HDAC8 2185/4885

“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.