SCHEMBL31358673

SCHEMBL31358673

O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
POLB P06746 4/20 0.58
HPGD P15428 4/20 0.58
ALDH1A1 P00352 4/20 0.58
PIK3CG P48736 3/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
XPA P23025 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL31358853 0.88 MAPT (0.60) MAPTPOLBHPGDALDH1A1PIK3CG
SCHEMBL31358779 0.85 GSK3A (0.59) MAPTPOLBHPGDALDH1A1PIK3CG
SCHEMBL31358743 0.84 MAPT (0.57) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358656 0.84 MAPT (0.71) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358762 0.84 PIK3CG (0.60) MAPTPOLBHPGDALDH1A1PIK3CG
SCHEMBL31358690 0.83 MAPT (0.58) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358867 0.82 MAPT (0.58) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358668 0.80 MAPT (0.51) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358861 0.80 MAPT (0.51) MAPTPOLBHPGDALDH1A1MEN1
SCHEMBL31358819 0.80 GSK3B (0.58) MAPTPOLBHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-01-23 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-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF PTPN18, PTPN7, PTPN1 MAPT 4688/4885POLB 3743/4885HPGD 3729/4885

“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.