Sugi Predict

Sugi Predict / Compounds / SCHEMBL3350227

SCHEMBL3350227

SCHEMBL3350227

Cc1nn(CC(F)F)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 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
SCHEMBL14923501 0.90 MAPT (0.45) MAPTCYP1A2CNR1ACHECNR2
SCHEMBL3380035 0.84 KMO (0.44) MAPTCYP1A2NPC1RAB9ACNR1
SCHEMBL10077048 0.83 ADORA2A (0.54) MAPTCYP1A2NPC1RAB9ACNR1
SCHEMBL14928279 0.81 ADORA2A (0.56) MAPTCYP1A2NPC1RAB9ACNR1
SCHEMBL31591515 0.80 KMO (0.43) MAPTCYP1A2NPC1RAB9ACNR1
SCHEMBL30695536 0.79 CNR2 (0.42) MAPTCYP1A2CNR1ACHECNR2
SCHEMBL28483269 0.79 CNR2 (0.42) MAPTCYP1A2CNR1ACHECNR2
SCHEMBL14908669 0.78 CNR2 (0.44) MAPTCYP1A2CNR1ACHECNR2
SCHEMBL14908867 0.78 CNR2 (0.46) MAPTCNR1ACHECNR2F2
SCHEMBL31591496 0.78 CNR2 (0.46) MAPTCYP1A2NPC1RAB9ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPT 4186/4885CYP1A2 4413/4885NPC1 1367/4885

“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.