SCHEMBL62190

SCHEMBL62190

O=C(CCCc1ccccc1)N(Cc1ccco1)c1ncnc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
TSHR P16473 5/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15950879 0.73 MAPT (0.51) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL62191 0.71 KMT2A (0.40) ALDH1A1GAATSHRPOLBMEN1
SCHEMBL9222308 0.67 TSHR (0.51) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL5808902 0.66 SMN1; SMN2 (0.42) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL15950909 0.65 SMN1; SMN2 (0.44) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL9199297 0.64 CSF1R (0.45) ALDH1A1TSHRPOLBMAPTSMN1; SMN2
SCHEMBL17009422 0.64 SMN1; SMN2 (0.49) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL19064637 0.63 SMN1; SMN2 (0.51) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL8675770 0.63 NPSR1 (0.42) ALDH1A1POLBSMN1; SMN2LMNACYP1A2
SCHEMBL1898390 0.62 RAB9A (0.51) ALDH1A1GAATSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP claimed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US claimed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP claimed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO claimed
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO 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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC ALDH1A1 7/4885GAA 898/4885CA12 1721/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 ALDH1A1 6/4885GAA 1045/4885CA12 1495/4885

“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.