SCHEMBL5375704

SCHEMBL5375704

C[C@@H](c1ccc(N)cc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ACHE P22303 5/20 0.38
PYCR1 P32322 1/20 0.37
CHRNA7 P36544 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX5 P09917 2/20 0.35
BCHE P06276 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PSMD14 O00487 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
SCHEMBL853383 1.00 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1TP53
Hydrochloric Acid SCHEMBL6675940 0.98 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL18762840 0.87 CHRNA7 (0.43) ALDH1A1MEN1MAPTKMT2AACHE
SCHEMBL28671135 0.85 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL11230687 0.84 TYR (0.42) MEN1MAPTKMT2AACHEPYCR1
SCHEMBL8904224 0.77 CHRNA7 (0.61) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL12313 0.77 CHRNA7 (0.61) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5955 0.75 MAPT (0.53) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL8302666 0.75 ALDH1A1 (0.55) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL4592098 0.75 PYCR1 (0.37) MEN1MAPTKMT2AACHEPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2006-08-10 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 (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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP1 733/4885ALDH1A1 243/4885CYP3A4 395/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP1 733/4885ALDH1A1 243/4885CYP3A4 395/4885
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 TDP1 1109/4885ALDH1A1 1138/4885CYP3A4 895/4885

“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.