SCHEMBL3591550

SCHEMBL3591550

Cc1cc(NCC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
P2RX7 Q99572 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
PLA2G2A P14555 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

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
SCHEMBL3591565 0.89 PDE4A (0.37) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3598154 0.87 KMT2A (0.38) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3603757 0.86 ALDH1A1 (0.38) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3598233 0.85 PDE4A (0.37) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3603046 0.85 ALDH1A1 (0.38) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3593102 0.84 PDE4A (0.38) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL13254113 0.83 F2RL3 (0.42) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3603384 0.83 L3MBTL1 (0.42) MAPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL3603503 0.83 MEN1 (0.44) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3594778 0.82 ALDH1A1 (0.41) MAPTKMT2AALDH1A1PDE4APDE4B

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 4 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

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 MAPT 4708/4885KMT2A 4721/4885ALDH1A1 4118/4885

“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.