SCHEMBL26413591

SCHEMBL26413591

CNc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.52
CDC25B P30305 1/20 0.51
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL26413414 0.87 CASP6 (0.46) HCAR3MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL26413557 0.86 CES2 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL26413430 0.85 KMT2A (0.39) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL26413561 0.84 GAA (0.52) MAPTALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL24944251 0.84 MAPT (0.37) HCAR3MAPTALDH1A1MAPK1KMT2A
SCHEMBL26413553 0.84 TSHR (0.49) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL26413388 0.84 VCAM1 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL26478650 0.84 MAPT (0.46) MAPTALDH1A1KMT2ALMNA
SCHEMBL26413536 0.84 OPRM1 (0.40) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL26413428 0.83 GPR35 (0.36) MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11644753-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-09 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 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 (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-11644753-B2 Resist composition and patterning process HNRNPU, NSUN2, HNRNPR HCAR3 1518/4885CDC25B 4525/4885MAPT 2648/4885

“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.