SCHEMBL1613121

SCHEMBL1613121

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.44
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
S100A4 P26447 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR35 Q9HC97 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR3 P49019 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1613117 1.00 PDK1 (0.44) PDK1CYP1A2MEN1LMNAKMT2A
SCHEMBL1223088 0.84 CYP1A2 (0.44) PDK1CYP1A2S100A4TRPV1KDM4E
SCHEMBL1223091 0.84 CYP1A2 (0.44) PDK1CYP1A2S100A4TRPV1KDM4E
SCHEMBL12782425 0.84 ALDH1A1 (0.48) PDK1MEN1LMNAKMT2AKDM4E
SCHEMBL3584977 0.83 ALDH1A1 (0.50) PDK1CYP1A2MEN1LMNAKMT2A
SCHEMBL3584980 0.83 ALDH1A1 (0.50) PDK1CYP1A2MEN1LMNAKMT2A
SCHEMBL17165018 0.83 ALDH1A1 (0.50) PDK1CYP1A2MEN1LMNAKMT2A
SCHEMBL2130850 0.83 ALDH1A1 (0.50) PDK1CYP1A2MEN1LMNAKMT2A
SCHEMBL16284320 0.83 TSHR (0.53) PDK1KDM4EGPR35ALDH1A1TSHR
SCHEMBL27839175 0.82 PDK1 (0.44) PDK1CYP1A2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122054798-A Perovskite absorption layer, perovskite/silicon laminated solar cell and preparation method thereof 宣城先进光伏技术有限公司 2026-05-15 CN disclosed
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 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 (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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 PDK1 73/4885CYP1A2 1383/4885MEN1 4123/4885

“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.