SCHEMBL7945644

SCHEMBL7945644

Cc1cccc2nc(-c3ccc(C(=O)O)cc3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
KMT2A Q03164 3/20 0.59
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
ADORA2A P29274 3/20 0.49
ADORA2B P29275 3/20 0.49
ADORA1 P30542 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
PARP1 P09874 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46

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
SCHEMBL7035698 0.86 PDE5A (0.46) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL7943519 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL6368201 0.83 NPC1 (0.55) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6528644 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL13405985 0.82 MGAM (0.59) ALDH1A1HPGDGAAADORA2AADORA2B
SCHEMBL12636735 0.82 TNKS (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL13405984 0.79 GAA (0.59) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL14091252 0.79 NPC1 (0.53) KDM4EALDH1A1HPGDGAAPARP1
SCHEMBL6325048 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL7941257 0.79 KMT2A (0.54) KDM4EALDH1A1HPGDKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 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 (1 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-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 KDM4E 2008/4885ALDH1A1 3805/4885HPGD 2515/4885

“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.