SCHEMBL13061912

SCHEMBL13061912

COc1cc(Cn2c3ccccc3c3ccc(C(=O)N=C(N)N)cc32)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ F10 P00742 4/20 0.42
▸ F2 P00734 3/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PLA2G2A P14555 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ PLA2G10 O15496 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL13011699 0.94 PLA2G2A (0.42) KDM4EHCRTR1ALDH1A1LMNAMAPT
SCHEMBL13634968 0.94 CNR2 (0.41) KDM4EHCRTR1ALDH1A1LMNAMAPT
SCHEMBL13011675 0.92 PLA2G2A (0.48) MAPTF10F2PRSS1PLA2G2A
SCHEMBL13062047 0.92 P2RX4 (0.55) LMNAP2RX4F10F2PRSS1
SCHEMBL13061918 0.86 TP53 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2F10
SCHEMBL3767125 0.85 CYP19A1 (0.53) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL13011330 0.84 ALDH1A1 (0.50) KDM4EHCRTR1ALDH1A1LMNAMAPT
SCHEMBL13011683 0.84 P2RX4 (0.52) KDM4EALDH1A1LMNAMAPTP2RX4
SCHEMBL13011336 0.83 MAPT (0.51) KDM4EHCRTR1ALDH1A1LMNAMAPT
SCHEMBL13011698 0.82 HDAC6 (0.44) KDM4ELMNAP2RX4F10F2

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-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 KDM4E 731/4885HCRTR1 840/4885ALDH1A1 2104/4885

“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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