SCHEMBL6495111

SCHEMBL6495111

C[C@H]1[C@H](c2ccccc2)N(C)C(=O)N1C(=O)NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
CNR1 P21554 5/20 0.42
CNR2 P34972 5/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 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
SCHEMBL6495108 1.00 TSHR (0.45) TSHRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6495106 1.00 TSHR (0.45) TSHRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6481214 0.78 SMN1; SMN2 (0.46) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL6481209 0.78 SMN1; SMN2 (0.46) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL6481211 0.78 SMN1; SMN2 (0.46) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL10718544 0.77 GAA (0.52) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL11103830 0.76 SMN1; SMN2 (0.44) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL11033360 0.76 SMN1; SMN2 (0.44) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL11103826 0.76 SMN1; SMN2 (0.44) TSHRSMN1; SMN2HPGDGAAP2RX1
SCHEMBL13890643 0.73 TSHR (0.48) TSHRMEN1KMT2ACNR1CNR2

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-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent NIPPON SODA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1435353-A1 NOVEL HETEROCYCLIC COMPOUND AND ANTI-INFLAMMATORY AGENT NIPPON SODA CO., LTD. (JP) 2004-07-07 EP 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-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent TLR5, IRF3, IL4 TSHR 4257/4885MEN1 3730/4885KMT2A 3642/4885

“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.