SCHEMBL3600000

SCHEMBL3600000

O=C(CN1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 11/20 0.43
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3594430 0.91 ALDH1A1 (0.44) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3592162 0.90 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3596441 0.89 ALDH1A1 (0.43) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3595274 0.88 HTR7 (0.39) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3597934 0.88 CACNB4 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3602275 0.88 ALDH1A1 (0.41) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3586209 0.87 ALDH1A1 (0.40) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3603360 0.87 HTR2A (0.48)
SCHEMBL3598200 0.86 KAT2B (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3600408 0.86 KCNJ1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E

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 POLB 4635/4885ALDH1A1 4118/4885MAPT 4708/4885

“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.