SCHEMBL7993472

SCHEMBL7993472

CCc1ccc2nc(-c3ccc(C(=O)O)cc3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.71
HDAC3 O15379 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
CHEK2 O96017 10/20 0.67
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
NR4A2 P43354 1/20 0.62
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
NPBWR1 P48145 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL7993467 0.90 MPL (0.61) MPLHDAC3HDAC1HDAC8HDAC6
SCHEMBL20982511 0.84 MMP2 (0.78) MPLHDAC3HDAC1HDAC8HDAC6
SCHEMBL5219768 0.84 NR4A2 (0.83) MPLHDAC3HDAC1HDAC8HDAC6
SCHEMBL12824938 0.83 NPC1 (0.63) HDAC3HDAC1HDAC8HDAC6CHEK2
SCHEMBL3546177 0.83 MPL (1.00) MPLHDAC3HDAC1HDAC8HDAC6
SCHEMBL20982644 0.83 NR4A2 (0.86) HDAC3HDAC1HDAC8HDAC6CHEK2
SCHEMBL7943528 0.82 MMP2 (0.71) MPLCHEK2MMP2MMP9MMP8
SCHEMBL18229540 0.81 HDAC6 (1.00) HDAC3HDAC1HDAC8HDAC6CHEK2
SCHEMBL3567770 0.81 CHEK2 (0.66) MPLHDAC3HDAC1HDAC8HDAC6
SCHEMBL3569187 0.81 CHEK2 (0.66) MPLHDAC3HDAC1HDAC8HDAC6

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 1 patent. 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

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 MPL 2107/4885HDAC3 155/4885HDAC1 89/4885

“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.