SCHEMBL4130037

SCHEMBL4130037

CCOC(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
HCAR3 P49019 4/20 0.62
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
PTGER4 P35408 1/20 0.58
ALOX15 P16050 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.48

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
SCHEMBL4130039 1.00 KMT2A (0.63) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15321361 0.95 HCAR3 (0.68) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15320968 0.91 KMT2A (0.63) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL22725419 0.91 KMT2A (0.54) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15320365 0.91 HCAR3 (0.70) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15319810 0.91 HCAR3 (0.70) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL2027705 0.90 HCAR3 (0.68) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15320956 0.90 HCAR3 (0.68) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15320045 0.90 HCAR3 (0.68) KMT2AHCAR3ALDH1A1MAPTRAB9A
SCHEMBL15319505 0.90 HCAR3 (0.68) KMT2AHCAR3ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 KMT2A 2410/4885HCAR3 2952/4885ALDH1A1 2299/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 KMT2A 2410/4885HCAR3 2952/4885ALDH1A1 2299/4885

“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.