SCHEMBL18520178

SCHEMBL18520178

CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL18193018 0.80 ALDH1A1 (0.45) TP53MAPTLMNAALDH1A1PIK3CA
SCHEMBL18985916 0.80 MAPT (0.58) MAPTLMNAALDH1A1PIK3CDPIK3CA
SCHEMBL173911 0.80 MAPT (0.51) TP53MAPTLMNAALDH1A1GAA
SCHEMBL22466151 0.79 BAZ2B (0.50) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL3636100 0.78 MAPT (0.38) TP53MAPTLMNAAPOBEC3GALDH1A1
SCHEMBL17809809 0.76 LRRK2 (0.64) LMNAALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL27917866 0.76 MAPT (0.53) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL22353120 0.75 F2 (0.49) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL17870561 0.75 PIK3CD (0.48) MAPTLMNAALDH1A1PIK3CDPIK3CA
SCHEMBL18609309 0.75 PIK3CD (0.48) TP53PIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 TP53 1833/4885MAPT 4782/4885LMNA 1065/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 TP53 1072/4885MAPT 4243/4885LMNA 567/4885

“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.