SCHEMBL5157111

SCHEMBL5157111

COc1cc(-c2ccccc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.58
NPC1 O15118 11/20 0.58
SMN1; SMN2 Q16637 8/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 5/20 0.51
PTPN1 P18031 1/20 0.51
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
NOTUM Q6P988 2/20 0.49
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL22348368 0.81 MAP4K4 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL27613207 0.77 KDM4E (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL12890028 0.76 RAB9A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL27908244 0.75 CYP1A2 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL22348509 0.75 NPC1 (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL17084387 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL17084385 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL354043 0.74 RAB9A (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL12890234 0.73 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL16958738 0.73 RAB9A (0.69) RAB9ANPC1SMN1; SMN2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
CN-1148361-C Oxyiminoalkanoic acid derivatives ����ҩƷ��ҵ��ʽ���� 2004-05-05 CN disclosed
CN-1300285-A Hydroxyiminoalkanoic Acid Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 CN 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 RAB9A 4235/4885NPC1 4814/4885SMN1; SMN2 4850/4885

“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.