SCHEMBL4698582

SCHEMBL4698582

O=C(Nc1cccc(O)c1)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.71
RAB9A P51151 6/20 0.71
TP53 P04637 1/20 0.71
MAPK1 P28482 1/20 0.71
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
MAPT P10636 3/20 0.68
LMNA P02545 1/20 0.68
KCNK3 O14649 2/20 0.64
HTT P42858 2/20 0.63
NLRP3 Q96P20 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
KCNK9 Q9NPC2 1/20 0.58
CNR1 P21554 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56

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
SCHEMBL3656361 0.88 NPC1 (0.78) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL4255341 0.86 NPC1 (0.81) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2385408 0.84 KMT2A (0.83) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL24628731 0.83 NPC1 (0.71) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL29768474 0.83 NPC1 (0.76) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28579555 0.83 NPC1 (0.76) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3619432 0.83 NPC1 (0.66) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL11675529 0.82 MEN1 (1.00) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL29800565 0.82 MEN1 (0.93) NPC1RAB9ATP53MAPK1KMT2A
SCHEMBL6793906 0.82 MEN1 (0.93) NPC1RAB9ATP53MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
WO-2012135944-A9 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 WO disclosed
WO-2012135944-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2012-10-11 WO disclosed
CN-101263145-A 4-amino-thieno [3, 2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 US disclosed
US-4147781-A O,s-dialkyl o-benzamidophenyl phosphorothiolates and phosphorodithioates and pesticidal methods ROHM AND HAAS COMPANY (US) 1979-04-03 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-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC NPC1 4309/4885RAB9A 3618/4885TP53 3120/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 NPC1 3084/4885RAB9A 1577/4885TP53 212/4885

“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.