SCHEMBL29929686

SCHEMBL29929686

Cc1c(C)n(CC2CO2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.61
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 5/20 0.45
IDO1 P14902 1/20 0.44
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
SMN1; SMN2 Q16637 4/20 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
SCHEMBL409180 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL29558033 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL30145441 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL15380522 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL15380515 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL29558375 0.82 DHFR (0.79) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL410649 0.78 MAPT (0.72) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL22967261 0.78 MAPT (0.48) DHFRKDM4EALOX15HSD17B10MAPT
SCHEMBL14689874 0.78 MAPT (0.72) DHFRKDM4EALDH1A1LMNAMEN1
SCHEMBL11287159 0.74 KDM4E (0.59) KDM4EALDH1A1LMNAMEN1KMT2A

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-20220296604-A1 INDOLE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2022-09-22 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-20220296604-A1 INDOLE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, HMGB1, GPR119 DHFR 1523/4885KDM4E 1896/4885ALDH1A1 792/4885

“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.