SCHEMBL3892152

SCHEMBL3892152

Cc1cc(C(=O)Nc2ccnn2C)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
MAPK14 Q16539 4/20 0.47
LCK P06239 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.39
NTRK1 P04629 1/20 0.39
AHR P35869 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3892753 0.82 HPGDS (0.49) HPGDSMAPK14LCKKMT2AALDH1A1
SCHEMBL7253124 0.81 HPGDS (0.39) HPGDSMAPK14LCKKMT2AMAPK8
SCHEMBL3767339 0.80 RAB9A (0.51) HPGDSMAPK14LCKKMT2AALDH1A1
SCHEMBL4035180 0.79 MAPK14 (0.56) HPGDSMAPK14LCKKMT2AALDH1A1
SCHEMBL396727 0.78 POLB (0.53) HPGDSMAPK14KMT2AMAPK8MAPK10
SCHEMBL2214850 0.76 MAPK14 (0.46) HPGDSMAPK14LCKKMT2AALDH1A1
SCHEMBL13213725 0.76 POLB (0.50) HPGDSMAPK14LCKKMT2ASMN1; SMN2
SCHEMBL3268236 0.76 KMT2A (0.57) HPGDSMAPK14KMT2AALDH1A1SMN1; SMN2
SCHEMBL14161063 0.75 MAPK14 (0.43) HPGDSMAPK14LCKKMT2AMAPK8
SCHEMBL3893646 0.75 ALDH1A1 (0.43) KMT2AALDH1A1SMN1; SMN2POLBNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US claimed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US claimed
US-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses OH EU-GENE 2006-06-01 US claimed
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US disclosed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US disclosed
US-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses OH EU-GENE 2006-06-01 US disclosed
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-10-28 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-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO HPGDS 712/4885MAPK14 1651/4885LCK 2000/4885
US-20040214827-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO HPGDS 851/4885MAPK14 1843/4885LCK 1923/4885

“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.