SCHEMBL3797962

SCHEMBL3797962

NC(=O)c1ccc(C2=Nc3ccccc3OC2)c2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
TRPA1 O75762 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTR2B P41595 3/20 0.34
HTR7 P34969 2/20 0.34
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL14880029 0.72 HTR2B (0.43) ALDH1A1MAPTLMNATRPA1HTR2B
SCHEMBL3791964 0.69 ALDH1A1 (0.39) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3802177 0.67 HSP90AA1 (0.46)
SCHEMBL4796546 0.66 HTR2B (0.68) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL30647966 0.65 HTR2B (0.51) KDM4EALDH1A1MAPTNPC1LMNA
SCHEMBL28876616 0.65 HTR2B (0.48) NPC1RAB9ATRPA1HTR2BHTR7
SCHEMBL3795698 0.65 CDK8 (0.49)
SCHEMBL5613233 0.64 HTR2B (0.66) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3797711 0.63 SLC22A12 (0.40) LMNARAB9ATRPA1SMN1; SMN2HTR2B
SCHEMBL5482045 0.63 LMNA (0.58) KDM4EALDH1A1MAPTGAANPC1

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US claimed

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 KDM4E 4556/4885ALDH1A1 2540/4885MAPT 1323/4885

“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.