SCHEMBL2070905

SCHEMBL2070905

Cn1cc([N+](=O)[O-])cc(Br)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESPL1 Q14674 1/20 0.38
TSHR P16473 3/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2573621 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL397235 0.79 MAPT (0.48) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL11997400 0.78 CYP3A4 (0.46) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL5008152 0.78 LMNA (0.50) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL16244899 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL13272808 0.78 GPR35 (0.43) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL14994695 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL28490834 0.77 ALDH1A1 (0.41) ALDH1A1GLACYP3A4L3MBTL1MEN1
SCHEMBL19869855 0.77 L3MBTL1 (0.54) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL17494854 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A

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
WO-2024083208-A1 KIF18A PROTEIN INHIBITOR 杭州邦顺制药有限公司 2024-04-25 WO disclosed
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed
CN-113264945-B Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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 (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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK ALDH1A1 189/4885GLA 219/4885CYP3A4 1485/4885
US-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R ALDH1A1 786/4885GLA 4195/4885CYP3A4 759/4885

“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.