SCHEMBL30939738

SCHEMBL30939738

CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KCNMA1 Q12791 1/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 2/20 0.41
GALR2 O43603 1/20 0.40
MITF O75030 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
SCHEMBL4479590 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRHTTMAPT
SCHEMBL8293656 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRHTTMAPT
SCHEMBL5528109 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TSHRMAPTKCNMA1
SCHEMBL5705174 0.84 KMT2A (0.43) ALDH1A1HTTMAPTNPSR1KDM4E
SCHEMBL27795562 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL30002032 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL15366075 0.80 HTT (0.50) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL30388557 0.80 KCNMA1 (0.63) ALDH1A1SMN1; SMN2TSHRHTTKCNMA1
SCHEMBL5144247 0.80 KCNMA1 (0.63) ALDH1A1SMN1; SMN2TSHRHTTKCNMA1
SCHEMBL9185883 0.79 KMT2A (0.56) ALDH1A1SMN1; SMN2TSHRHTTMAPT

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-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN 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-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD ALDH1A1 1991/4885SMN1; SMN2 4084/4885TSHR 3561/4885

“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.