SCHEMBL3254255

SCHEMBL3254255

O=C(Nc1cccc2cc(C(=O)O)sc12)c1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.58
▸ MDM4 O15151 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45

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
SCHEMBL3257419 0.90 KDR (0.55) KDRMDM4TP53MDM2KMT2A
SCHEMBL3255596 0.81 HTT (0.57) KMT2AKDM4ERAB9AMEN1NPC1
SCHEMBL3256057 0.75 LYN (0.77) KDRKMT2AKDM4EMAPK1MEN1
SCHEMBL13359264 0.75 LYN (0.59) KDRMDM4TP53MDM2KMT2A
SCHEMBL654746 0.73 MDM4 (0.72) KDRMDM4TP53MDM2KMT2A
SCHEMBL29205661 0.73 KDR (1.00) KDRMDM4TP53MDM2KMT2A
SCHEMBL30981008 0.72 MDM4 (0.74) KDRMDM4TP53MDM2KMT2A
SCHEMBL3255235 0.72 HPGD (0.56) TP53KMT2AKDM4EMAPK1MEN1
SCHEMBL21712250 0.71 KDM4E (0.47) KMT2AKDM4EMAPK1RAB9AMEN1
SCHEMBL21712251 0.71 HTR3A (0.45) KMT2AKDM4ERAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
EP-1497278-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-19 — — EP disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
WO-2003087085-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 — — 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 (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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B KDR 3697/4885MDM4 4862/4885TP53 3741/4885

“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.

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