SCHEMBL6316045

SCHEMBL6316045

CN(C(=O)c1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
THRB P10828 1/20 0.51
TP53 P04637 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GRM1 Q13255 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL18765295 0.90 KDM4E (0.63) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL3939111 0.87 TSHR (0.46) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL7367970 0.87 TSHR (0.46) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL7808323 0.87 TSHR (0.46) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL5838645 0.85 HSD17B10 (0.60) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL14507079 0.83 KMT2A (0.58) TSHRKMT2AKDM4ETP53RAB9A
SCHEMBL243741 0.83 POLB (0.51) TSHRKMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL7953771 0.83 TSHR (0.43) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL7749655 0.83 ALDH1A1 (0.47) TSHRKMT2AKDM4ETHRBTP53
SCHEMBL6643330 0.83 FFAR1 (0.49) TSHRKMT2AKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887646-B1 Chemical amplification resist composition MITSUBISHI RAYON CO., LTD. (JP) 2005-05-03 US disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US disclosed
EP-1209525-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2002-05-29 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-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 TSHR 1186/4885KMT2A 40/4885KDM4E 479/4885

“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.