SCHEMBL4030860

SCHEMBL4030860

N#Cc1cccc(NCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
FFAR1 O14842 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KCNA5 P22460 1/20 0.47
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL3836565 0.84 LMNA (0.56) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL4833263 0.84 ALDH1A1 (0.50) LMNAALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4833254 0.82 ALDH1A1 (0.49) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL19133522 0.81 LMNA (0.50) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL3826314 0.80 POLB (0.54) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL10019234 0.80 ALDH1A1 (0.50) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11115631 0.79 ALDH1A1 (0.59) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL24777898 0.79 KMT2A (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL23120707 0.79 KMT2A (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5712396 0.78 ALDH1A1 (0.47) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 LMNA 1943/4885ALDH1A1 1819/4885MAPT 763/4885
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A LMNA 3905/4885ALDH1A1 278/4885MAPT 3851/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A LMNA 3905/4885ALDH1A1 278/4885MAPT 3851/4885

“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.