SCHEMBL14944865

SCHEMBL14944865

NCCc1ccc2ncsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HKDC1 Q2TB90 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
ADRA2A P08913 2/20 0.40
MAPT P10636 2/20 0.40
DRD1 P21728 2/20 0.40

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
Hydrochloric Acid SCHEMBL20562963 0.98 DYRK1A (0.45) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL4943705 0.90 DYRK1A (0.44) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL1060868 0.85 DYRK1A (0.49) DYRK1AKDM4ETDP1NPC1RAB9A
Hydrochloric Acid SCHEMBL20562483 0.84 TDP1 (0.42) DYRK1AKDM4ETDP1DRD2HTR1A
SCHEMBL5539650 0.82 NPC1 (0.45) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL5871480 0.82 NPC1 (0.45) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL5871324 0.82 NPC1 (0.49) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL14532294 0.82 NPC1 (0.48) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL506591 0.79 NPC1 (0.49) DYRK1AKDM4ETDP1NPC1RAB9A
SCHEMBL360535 0.79 NPC1 (0.46) DYRK1AKDM4ETDP1NPC1RAB9A

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP DYRK1A 1181/4885KDM4E 648/4885TDP1 2656/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP DYRK1A 1203/4885KDM4E 608/4885TDP1 2671/4885

“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.