SCHEMBL3229479

SCHEMBL3229479

Cn1c(C(C)(C)C)cc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
CASP6 P55212 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HCAR3 P49019 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL18064407 0.68 ALDH1A1 (0.40) HTTMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10709158 0.66 CASP6 (0.55) LMNAMAPTTSHRCASP6ALDH1A1
SCHEMBL19332519 0.65 TSHR (0.45) MAPTTSHRCASP6GPR35HCAR3
SCHEMBL11511991 0.65 TSHR (0.45) HTTMAPTTSHRCASP6GPR35
SCHEMBL3998201 0.65 GAA (0.58) HTTKDM4ETDP1PKMMEN1
SCHEMBL16418931 0.63 NOTUM (0.45) KDM4EALDH1A1
SCHEMBL28716826 0.63 DTYMK (0.46) HTTMAPTTSHRCASP6GPR35
Hydrochloric Acid SCHEMBL28543626 0.63 GAA (0.57) HTTKDM4ETDP1PKMMEN1
SCHEMBL3541314 0.62 TSHR (0.39) HTTLMNANPSR1TSHRCASP6
SCHEMBL20690493 0.62 CASP6 (0.64) LMNATSHRCASP6HCAR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (3 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-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF HTT 4540/4885LMNA 3576/4885KDM4E 2074/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 4540/4885LMNA 3576/4885KDM4E 2074/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF HTT 4540/4885LMNA 3576/4885KDM4E 2074/4885

“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.