SCHEMBL7118574

SCHEMBL7118574

O=[N+]([O-])c1ccc(CC(Br)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL28339214 0.93 CYP1A2 (0.50) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL11262646 0.84 CYP1A2 (0.54) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL23705848 0.84 TSHR (0.49) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL7008328 0.80 KMT2A (0.55) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL29274272 0.79 CYP1A2 (0.53) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL27921451 0.78 LOXL2 (0.55) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL1641620 0.78 SLC6A2 (0.48) CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL6810226 0.78 KMT2A (0.52) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL6810144 0.78 KMT2A (0.52) CYP1A2CYP2C19PTPRFPTPN2PTPN1
SCHEMBL11795354 0.77 ALDH1A1 (0.58) CYP1A2CYP2C19ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 CYP1A2 4156/4885CYP2C19 3118/4885PTPRF 476/4885

“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.