SCHEMBL6231163

SCHEMBL6231163

Clc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.79
POLB P06746 2/20 0.79
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
ALOX15 P16050 2/20 0.68
HPGD P15428 1/20 0.68
MAPK1 P28482 1/20 0.68
NPC1 O15118 2/20 0.65
PKM P14618 1/20 0.63
MCL1 Q07820 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
HPGDS O60760 1/20 0.58
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
MELK Q14680 1/20 0.55

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
SCHEMBL17279801 0.91 RAB9A (0.96) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL19049229 0.89 RAB9A (0.92) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL17345709 0.89 RAB9A (0.92) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL17279797 0.89 RAB9A (0.92) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL1230353 0.89 RAB9A (1.00) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL8889610 0.86 RAB9A (0.72) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL14985494 0.84 POLB (0.70) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL6263733 0.84 RAB9A (0.61) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL9049682 0.84 MAPT (0.66) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL22307330 0.84 POLB (0.70) RAB9APOLBMEN1KMT2AMAPT

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
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 WO disclosed
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 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 (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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 RAB9A 2138/4885POLB 2420/4885MEN1 4471/4885

“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.