SCHEMBL4223239

SCHEMBL4223239

CCC(=O)NNC(=O)CCNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 2/20 0.33
CYP2D6 P10635 1/20 0.33
ECE1 P42892 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL21110596 0.83 ADRA1A (0.36) SMN1; SMN2KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL1935273 0.80 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL4229696 0.78 CYP2D6 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3711344 0.78 CYP2C19 (0.38) ALDH1A1L3MBTL1KDM4ELMNACYP2C19
SCHEMBL28174433 0.76
SCHEMBL23728846 0.76 CASP2 (0.47) MEN1KMT2AALDH1A1GAA
SCHEMBL1169137 0.75 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL15055415 0.75 KDM4E (0.33) SMN1; SMN2MAPTL3MBTL1KDM4ECYP2C19
SCHEMBL4079170 0.75 GAA (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4040747 0.75 LMNA (0.46) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA SMN1; SMN2 3573/4885MEN1 1896/4885KMT2A 4598/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 SMN1; SMN2 3842/4885MEN1 2880/4885KMT2A 4011/4885

“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.