Nimustine

Nimustine

SCHEMBL124427

Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1.OCl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.98
PMP22 Q01453 2/20 0.98
LMNA P02545 2/20 0.98
NFKB1 P19838 1/20 0.98
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
ABCB11 O95342 1/20 0.44
GSR P00390 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRA2A P08913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
TKT P29401 5/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
Nimustine SCHEMBL23301409 0.99 BLM (1.00) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL8414 0.99 BLM (1.00) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL98303 0.98 BLM (0.98) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL1649545 0.98 BLM (0.98) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL1649348 0.97 BLM (0.96) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL1580335 0.95 BLM (0.92) BLMPMP22LMNANFKB1ALDH1A1
Nimustine SCHEMBL5886061 0.88 BLM (0.80) BLMPMP22LMNANFKB1ALDH1A1
SCHEMBL25299723 0.87 LMNA (0.79) BLMPMP22LMNANFKB1TKT
SCHEMBL17524414 0.87 BLM (0.79) BLMPMP22LMNANFKB1ALDH1A1
SCHEMBL6541875 0.82 LMNA (0.71) BLMPMP22LMNANFKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962623-B2 Aminopyrazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140187529-A1 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8507545-B2 Cytotoxic T cell activator comprising EP4 agonist NATIONAL UNIVERSITY CORPORATION, HAMAMATSU UNIVERSITY SCHOOL OF MEDICINE (JP) 2013-08-13 US disclosed
WO-2012121939-A2 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
US-20100216689-A1 CYTOTOXIC T CELL ACTIVATOR COMPRISING EP4 AGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
CN-101686985-A Cytotoxic t cell activator comprising ep4 agonist NAT UNIV CORP HAMAMATSU 2010-03-31 CN disclosed
EP-2147672-A1 CYTOTOXIC T CELL ACTIVATOR COMPRISING EP4 AGONIST Nat. University Corp. Hamamatsu University School of Medicine (JP) 2010-01-27 EP 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-20140187529-A1 AMINOPYRAZINE COMPOUNDS ITK, IL4I1, IL5 BLM 4648/4885PMP22 4152/4885LMNA 3413/4885
US-20100216689-A1 CYTOTOXIC T CELL ACTIVATOR COMPRISING EP4 AGONIST CD4, PTGER4, LTB4R BLM 4657/4885PMP22 3676/4885LMNA 4586/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BLM 3659/4885PMP22 959/4885LMNA 3271/4885

“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.