SCHEMBL6846433

SCHEMBL6846433

O=C(Nc1ccccc1)c1cccc(CS)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.62
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
KCNK3 O14649 5/20 0.59
KCNK9 Q9NPC2 4/20 0.59
KMT2A Q03164 6/20 0.57
SIRT1 Q96EB6 2/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.54
NR1H4 Q96RI1 2/20 0.54
PTPN1 P18031 1/20 0.51

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
SCHEMBL19234542 0.85 SIRT1 (0.68) KCNK3KCNK9KMT2ASIRT1NPC1
SCHEMBL12228481 0.84 HDAC1 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL18397777 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL4068853 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL29712456 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL19964495 0.84 LOXL2 (0.62) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL29994466 0.83 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC2KCNK3
Hydrochloric Acid SCHEMBL19953267 0.83 LOXL2 (0.62) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL30037079 0.83 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL8374911 0.82 HDAC1 (0.85) HDAC8HDAC6HDAC1HDAC2KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA FOLH1 2291/4885HDAC8 1160/4885HDAC6 960/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA FOLH1 2291/4885HDAC8 1160/4885HDAC6 960/4885

“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.