SCHEMBL27227845

SCHEMBL27227845

Cc1cc([N+](=O)[O-])c2cnn(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 3/20 0.41

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
SCHEMBL30860915 1.00 CREBBP (0.47) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL1780298 0.83 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227902 0.83 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227910 0.79 CREBBP (0.49) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL22411798 0.79 CREBBP (0.43) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227826 0.79 VCAM1 (0.47) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL14272018 0.79 CREBBP (0.75) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL22411925 0.79 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL10596779 0.78 HPRT1 (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL15910918 0.78 ERN1 (0.56) CREBBPCYP3A4LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 CREBBP 994/4885CYP3A4 4689/4885LMNA 2647/4885

“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.

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