SCHEMBL4071067

SCHEMBL4071067

C=CCNC(=O)[N]c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTBP1 P26599 1/20 0.44
OPRK1 P41145 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4302974 0.76 HPGD (0.50) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL28799522 0.73 SMN1; SMN2 (0.58) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL9302384 0.72 SLC2A1 (0.40) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL3661856 0.71 RAB9A (0.59) SMN1; SMN2LMNARAB9AHTTMEN1
SCHEMBL7131909 0.71 IMPDH2 (0.40) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL7131905 0.71 IMPDH2 (0.40) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL28592511 0.70 SMN1; SMN2 (0.43) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL5970257 0.69 ADRA2A (0.43) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL1851528 0.69 ADRA2A (0.50) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL10841156 0.68 ALDH1A1 (0.50) ALDH1A1LMNARAB9AKDM4ECYP1A2

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SMN1; SMN2 1400/4885HPGD 3959/4885ALDH1A1 2929/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885HPGD 3669/4885ALDH1A1 2196/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SMN1; SMN2 1673/4885HPGD 3365/4885ALDH1A1 1704/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885HPGD 3669/4885ALDH1A1 2196/4885

“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.