SCHEMBL5956595

SCHEMBL5956595

Cc1cccc(CC(=O)c2ccnc(-c3ccc(OCC(N)=O)cc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 3/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TGFBR1 P36897 4/20 0.37
KDR P35968 2/20 0.37
MAPK14 Q16539 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 2/20 0.36
KDM1A O60341 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL5956574 0.84 SCN10A (0.54) ABL1BCRSCN10AMAPTADORA3
SCHEMBL6231313 0.83 RAB9A (0.46) MEN1KMT2AMAPT
SCHEMBL5907494 0.82 FKBP1A (0.52) MEN1KMT2AMAPT
SCHEMBL5907457 0.81 KDM1A (0.38) TGFBR1KDRMAPK14ABL1BCR
SCHEMBL5907479 0.81 PRKAB2 (0.47) TGFBR1KDRHDAC1KDM1A
SCHEMBL5956561 0.80 ACACA (0.43) ACACAMEN1KMT2ATGFBR1TSHR
SCHEMBL5956396 0.79 CYP1A2 (0.39) KMT2ATGFBR1KDRMAPK14ABL1
SCHEMBL5956698 0.79 EGFR (0.40) ABL1BCRHDAC1KDM1A
SCHEMBL5956373 0.76 WNK1 (0.45) MEN1KMT2ATGFBR1ABL1BCR
SCHEMBL5907452 0.76 HDAC1 (0.50) TGFBR1HDAC1KDM1AHDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 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 (3 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-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 ACACA 2635/4885MEN1 1071/4885KMT2A 4373/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 ACACA 1480/4885MEN1 2280/4885KMT2A 2686/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 ACACA 3203/4885MEN1 259/4885KMT2A 4212/4885

“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.