SCHEMBL3602216

SCHEMBL3602216

NCC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.40
KAT2B Q92831 1/20 0.40
PLA2G2A P14555 1/20 0.40
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3585759 0.91 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3597912 0.89 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3588767 0.89 KMT2A (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254121 0.89 KMT2A (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3598247 0.88 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3587785 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3585790 0.87 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3594288 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254123 0.87 POLB (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3594193 0.86 KMT2A (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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 6 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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN 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 4118/4885KMT2A 4721/4885SMN1; SMN2 4722/4885

“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.