SCHEMBL30643256

SCHEMBL30643256

CC(C)(C)OC(=O)N1CCC2Cc3cc([N+](=O)[O-])ccc3N2CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.41
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29860050 0.91 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTDRD2
SCHEMBL26597140 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTTDRD2
SCHEMBL12459066 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL26597118 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL26597125 0.81 LMNA (0.47) ALDH1A1MAPTLMNADRD2SMN1; SMN2
SCHEMBL31543863 0.81 LMNA (0.47) ALDH1A1MAPTLMNADRD2SMN1; SMN2
SCHEMBL2731653 0.81 ALDH1A1 (0.59) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL499984 0.80 MAPT (0.50) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL17181346 0.80 MAPT (0.50) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL31333796 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNACYP1A2CYP2D6

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-20240327423-A1 A SERIES OF PYRROLE DERIVATIVES AND THEIR PREPARATION METHOD AND THERAPEUTIC USE Shenzhen Sungening Biological Co., Ltd (CN) 2024-10-03 US disclosed
EP-4265621-A1 PYRROLE DERIVATIVE, AND PREPARATION METHOD AND USE THEREFOR Shenzhen Sungening Bio-Medical Co., Ltd. (CN) 2023-10-25 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-20240327423-A1 A SERIES OF PYRROLE DERIVATIVES AND THEIR PREPARATION METHOD AND THERAPEUTIC USE DHODH, PPOX, HPD ALDH1A1 575/4885MAPT 1443/4885LMNA 4400/4885

“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.