SCHEMBL3234460

SCHEMBL3234460

O=C1c2cc3ccccc3nc2C=CC1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ GLA P06280 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TP53 P04637 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PDE2A O00408 2/20 0.34
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ BTK Q06187 1/20 0.33
▸ PKM P14618 3/20 0.33

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
SCHEMBL7841262 0.84 RAB9A (0.39) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL973209 0.82 IKBKB (0.40) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL7094488 0.82 RAB9A (0.38) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL4349529 0.82 BACE1 (0.36) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL71079 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL7088775 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL3859298 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL9690618 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL3735368 0.81 RAB9A (0.45) NPC1RAB9AALDH1A1MAPTGLA
SCHEMBL195410 0.81 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 — — EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 — — EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-20060241108-A1 Substituted phenoxazines and acridones as inhibitors of AKT ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2006-10-26 — — US disclosed
WO-2006094207-A2 SUBSTITUTED PHENOXAZINES AND ACRIDONES AS INHIBITORS OF AKT ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2006-09-08 — — WO disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 — — 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 (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-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH NPC1 1935/4885RAB9A 3964/4885ALDH1A1 39/4885
US-20060241108-A1 Substituted phenoxazines and acridones as inhibitors of AKT AKT1S1, AKT3, PIK3CA NPC1 3202/4885RAB9A 3947/4885ALDH1A1 3003/4885

“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.

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