SCHEMBL13616491

SCHEMBL13616491

C/C=N/N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
FTO Q9C0B1 1/20 0.40
GAA P10253 2/20 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
SCHEMBL13616492 0.81 ALDH1A1 (0.68) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL4315406 0.80 MAPT (0.72) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL13616566 0.77 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL13749573 0.68 LMNA (0.51) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL13616470 0.66 MAPT (0.39) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL282040 0.65 ALDH1A1 (0.53) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL12715362 0.65 CYP3A4 (0.56) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13616563 0.65 MAPK1 (0.39) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL11628473 0.65 LMNA (0.73) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL13616467 0.65 SMN1; SMN2 (0.47) MAPTLMNAMAPK1KMT2ASMN1; SMN2

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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 MAPT 3175/4885LMNA 2521/4885ALDH1A1 1070/4885

“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.