SCHEMBL436600

SCHEMBL436600

CCc1c(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1-c1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
PTGER1 P34995 6/20 0.48
SETD7 Q8WTS6 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
ENPP2 Q13822 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
PTPN11 Q06124 1/20 0.42
USP2 O75604 1/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 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
SCHEMBL435663 0.90 KDM4E (0.59) KDM4EALDH1A1PKMPTGER1NPC1
SCHEMBL438096 0.86 KDM4E (0.55) KDM4EALDH1A1PKMPTGER1SETD7
SCHEMBL436574 0.80 ALDH1A1 (0.55) KDM4EALDH1A1PKMPTGER1NPC1
SCHEMBL436597 0.78 ALDH1A1 (0.55) KDM4EALDH1A1PKMPTGER1NPC1
SCHEMBL2998645 0.75 KDM4E (0.51) KDM4EALDH1A1PKMPTGER1ENPP2
SCHEMBL437676 0.75 ALDH1A1 (0.67) KDM4EALDH1A1PKMPTGER1NPC1
SCHEMBL2986715 0.73 PTGER1 (0.44) KDM4EALDH1A1PKMPTGER1SETD7
SCHEMBL435628 0.73 PLA2G10 (0.48) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL2993392 0.72 MAPT (0.45) KDM4EALDH1A1PKMPTGER1SETD7
SCHEMBL436569 0.72 ALDH1A1 (0.59) KDM4EALDH1A1PKMPTGER1NPC1

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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B KDM4E 3824/4885ALDH1A1 2759/4885PKM 1366/4885

“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.