SCHEMBL5018084

SCHEMBL5018084

COc1ccc2oc3ccc(Br)cc3c2c1C(=O)Nc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 1/20 0.55
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
LRRK2 Q5S007 6/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.51
SORT1 Q99523 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALPL P05186 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL5025326 0.88 LMNA (0.55) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL5016527 0.88 ALDH1A1 (0.53) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL5023320 0.85 NPC1 (0.59) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL5026608 0.85 KMT2A (0.57) NPC1RAB9ALMNAKMT2AMAPT
SCHEMBL5547465 0.81 PDE4D (0.55)
SCHEMBL5016436 0.78 SMN1; SMN2 (0.50) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL5018011 0.76 ALDH1A1 (0.53) RAB9ALMNAPOLBKMT2AMAPT
SCHEMBL5022678 0.75 KDM4E (0.49) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL28922075 0.75 POLB (0.73) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL30167988 0.75 POLB (0.73) NPC1RAB9ALMNAPOLBKMT2A

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 2 patents. 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
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP 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 NPC1 853/4885RAB9A 3448/4885LMNA 2873/4885

“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.