SCHEMBL5016465

SCHEMBL5016465

COc1c(-c2ccc([N+](=O)[O-])cc2)ccc2c3cc(Cl)ccc3n(C(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGS2 P35354 2/20 0.38
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38

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
SCHEMBL5016432 0.76 CDK2 (0.41) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5025192 0.70 PPARG (0.42) KDM4EPOLB
SCHEMBL29395323 0.67 NPBWR1 (0.52) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5022868 0.67 MAPT (0.39) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL7632075 0.64 HTT (0.55) HTTSMN1; SMN2ALDH1A1MAPTKCNMA1
SCHEMBL29129896 0.64 ALDH1A1 (0.50) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL6531077 0.64 TUBB4A (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTRXFP1
SCHEMBL5026571 0.64 TUBB4A (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTRXFP1
SCHEMBL5131835 0.63 SLC6A3 (0.57) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL29127703 0.62 KMT2A (0.54) ALDH1A1MAPTNPC1POLB

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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 KDM4E 4205/4885HTT 1726/4885SMN1; SMN2 3144/4885

“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.