SCHEMBL26802400

SCHEMBL26802400

Cc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
CYP11B2 P19099 1/20 0.43
ACACB O00763 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MET P08581 1/20 0.40
HIF1A Q16665 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK2 Q15119 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
SCHEMBL19633247 0.89 MAPT (0.53) ALDH1A1MAPTLMNACYP11B2ACACB
SCHEMBL16665290 0.86 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL19633241 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNACYP11B2MEN1
SCHEMBL19633455 0.84 ALDH1A1 (0.54) ALDH1A1MAPTLMNACYP11B2ACACB
SCHEMBL28945679 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNACYP11B2GPR119
SCHEMBL24794212 0.82 MAPT (0.52) ALDH1A1MAPTLMNACYP11B2ACACB
SCHEMBL30082676 0.82 MAPT (0.52) ALDH1A1MAPTLMNACYP11B2ACACB
SCHEMBL5234962 0.82 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL17411129 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNACYP11B2MEN1
SCHEMBL24794275 0.81 MAPT (0.56) ALDH1A1MAPTLMNAMEN1KMT2A

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-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. 2023-11-28 US 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 (2 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-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 ALDH1A1 1084/4885MAPT 2403/4885LMNA 4760/4885
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine FGFR4, FGFR1, FGFR2 ALDH1A1 1084/4885MAPT 2403/4885LMNA 4760/4885

“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.