SCHEMBL3598481

SCHEMBL3598481

Cc1nc2c(s1)CN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 5/20 0.38
GAA P10253 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 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
SCHEMBL3598764 0.91 RAB9A (0.37) ALDH1A1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL3595467 0.90 ALDH1A1 (0.37) ALDH1A1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL13254272 0.89 ALDH1A1 (0.35) ALDH1A1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL3600018 0.83 PRMT5 (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL3591436 0.83 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPK1
SCHEMBL3598200 0.82 KAT2B (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL3594430 0.81 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPK1
SCHEMBL3592261 0.81 ITGB3 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL3595274 0.81 HTR7 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL3597934 0.81 CACNB4 (0.44) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALDH1A1 4118/4885RAB9A 2473/4885GAA 4756/4885

“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.