SCHEMBL5144233

SCHEMBL5144233

CCO/N=C/c1c(F)cc(CCOn2c(C)nc3ccccc32)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
GAA P10253 2/20 0.38
ALDH3A1 P30838 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
TNF P01375 1/20 0.32
HTT P42858 3/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE2A O00408 1/20 0.31
GALR3 O60755 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5144235 1.00 TSHR (0.38) TSHRGAAALDH3A1EGFRERBB2
SCHEMBL5144357 0.70 KDR (0.30)
SCHEMBL6503741 0.70 KDR (0.30)
SCHEMBL5144221 0.68 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5144218 0.68 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5144268 0.65 GALR3 (0.41) ALDH3A1TNFHTTTP53SMN1; SMN2
SCHEMBL5146883 0.65 SMN1; SMN2 (0.50) TSHRHTTTP53SMN1; SMN2ALDH1A1
Allyl Alcohol SCHEMBL5180059 0.64
SCHEMBL10353141 0.62 KMT2A (0.42) GAATNFHTTTP53SMN1; SMN2
SCHEMBL3969616 0.59 HTT (0.52) TSHRTNFHTTTP53SMN1; SMN2

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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO 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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 TSHR 4725/4885GAA 2224/4885ALDH3A1 4593/4885

“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.