SCHEMBL13011675

SCHEMBL13011675

COc1cccc(Cn2c3ccccc3c3ccc(C(=O)N=C(N)N)cc32)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.48
▸ TSPO P30536 1/20 0.48
▸ F10 P00742 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ EDNRB P24530 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ PLA2G10 O15496 1/20 0.45

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
SCHEMBL13061912 0.92 KDM4E (0.44) PLA2G2AF10MAPTHDAC1HDAC6
SCHEMBL13062047 0.90 P2RX4 (0.55) PLA2G2AF10HDAC1HDAC6F2
SCHEMBL13011699 0.88 PLA2G2A (0.42) PLA2G2AF10MAPTHDAC1F2
SCHEMBL13634968 0.88 CNR2 (0.41) PLA2G2AF10MAPTHDAC1HDAC6
SCHEMBL13061918 0.87 TP53 (0.47) F10MAPTF2PRSS1POLB
SCHEMBL3767125 0.86 CYP19A1 (0.53) MAPTHDAC1HDAC6KMT2ACNR2
SCHEMBL13062129 0.85 HCAR3 (0.55) TSPOMAPTHDAC1HDAC6KMT2A
SCHEMBL13011250 0.84 MAPT (0.53) PLA2G2ATSPOF10MAPTHDAC1
SCHEMBL13011698 0.82 HDAC6 (0.44) F10HDAC1HDAC6F2PRSS1
SCHEMBL13011683 0.82 P2RX4 (0.52) MAPTHDAC1HDAC6POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E PLA2G2A 734/4885TSPO 888/4885F10 4320/4885

“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.

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