SCHEMBL4864848

SCHEMBL4864848

N#Cc1ccc(CCCC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNJ1 P48048 2/20 0.46
KCNH2 Q12809 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.45
CYP2A6 P11509 1/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA4 P22748 1/20 0.42
DAO P14920 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP19A1 P11511 3/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL2260049 0.94 TSHR (0.53) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL9864668 0.93 TSHR (0.56) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL2246626 0.88 KCNJ1 (0.48) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL20212772 0.88 TSHR (0.64) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL9457792 0.83 TSHR (0.53) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL27707611 0.82 FFAR1 (0.36) TSHRHSD17B10
SCHEMBL9640908 0.81 TSHR (0.62) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL10569888 0.81 TSHR (0.68) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL4826285 0.81 TSHR (0.54) TSHRHSD17B10KCNJ1KCNH2LOXL2
SCHEMBL9458406 0.81 TSHR (0.50) TSHRHSD17B10KCNJ1KCNH2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147278-B1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS UNIV TENNESSEE RES FOUND (US) 2020-02-12 EP disclosed
US-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US disclosed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-7407958-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2008-08-05 US disclosed
EP-1620426-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS In2gen Co., Ltd. (KR) 2006-02-01 EP disclosed
US-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2005-11-24 US disclosed
WO-2005103028-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS IN2GEN CO., LTD (KR) 2005-11-03 WO disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0168683-B1 LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS F. HOFFMANN-LA ROCHE AG (CH) 1990-11-28 EP disclosed
EP-0167912-B1 LIQUID CRYSTAL MIXTURES CONTAINING COMPOUNDS WITH A 4-ALKENYL OR 2Z-ALKENYL LATERAL CHAIN F. HOFFMANN-LA ROCHE AG (CH) 1990-01-03 EP disclosed
US-4709030-A 4-ALKENYL OR 2Z-ALKENYL POLYPHENYL COMPOUNDS; ELECTRO-OPTICS HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4621901-A ELECTROOPTICS HOFFMANN-LA ROCHE INC. (US) 1986-11-11 US disclosed
EP-0168683-A2 Liquid crystals with alkenyl or alkenyloxy groups F. HOFFMANN-LA ROCHE AG (CH) 1986-01-22 EP disclosed
EP-0167912-A2 Liquid crystal mixtures containing compounds with a 4-alkenyl or 2Z-alkenyl lateral chain F. HOFFMANN-LA ROCHE AG (CH) 1986-01-15 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 (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-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ACVR1, ACVRL1, ACVR1B TSHR 407/4885HSD17B10 3513/4885KCNJ1 3346/4885
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 TSHR 605/4885HSD17B10 4042/4885KCNJ1 3508/4885

“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.