Sugi Predict

Sugi Predict / Compounds / SCHEMBL9984883

SCHEMBL9984883

SCHEMBL9984883

CC(C)(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C(N)=O)CC3)c(F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ RET P07949 2/20 0.41
▸ ROS1 P08922 2/20 0.41
▸ EML4 Q9HC35 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL9984009 0.91 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9983921 0.90 ALDH1A1 (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9983960 0.90 MAPT (0.45) MAPTALDH1A1FLT3RETROS1
SCHEMBL9984137 0.89 BRD4 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9983948 0.87 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9985521 0.86 MAPT (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9984521 0.86 BRD4 (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9984032 0.84 MAPT (0.44) MAPTPOLBALDH1A1SMN1; SMN2FLT3
SCHEMBL9984892 0.84 HSF1 (0.41) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL9984345 0.84 FLT3 (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 — — US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 — — EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 — — US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 — — 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 MAPT 4055/4885CYP1A2 1338/4885CYP3A4 1344/4885

“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.