SCHEMBL8297680

SCHEMBL8297680

CCCCOc1cc(F)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 3/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
FAAH O00519 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL2859876 0.91 FFAR1 (0.46) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL3111588 0.84 FFAR1 (0.46) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL1808652 0.83 FFAR1 (0.48) CYP1A2CYP2C19FFAR1FFAR4L3MBTL1
SCHEMBL30294538 0.83 FFAR1 (0.48) CYP1A2CYP2C19FFAR1FFAR4L3MBTL1
SCHEMBL12668117 0.83 FFAR1 (0.43) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL3095403 0.82 FFAR1 (0.48) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL3105565 0.82 FFAR1 (0.44) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL3322520 0.82 FFAR1 (0.44) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL3099784 0.82 FFAR1 (0.44) CYP1A2CYP2C19CYP2C9FFAR1FFAR4
SCHEMBL8361618 0.81 CA12 (0.44) CYP1A2CYP2C19CYP2C9L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309221-B2 1-substituted indazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-9051295-B2 1-substituted indazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-06-09 US disclosed
EP-2837623-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-02-18 EP disclosed
US-20150031681-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2015-01-29 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8765786-B2 1-substituted indazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-07-01 US disclosed
US-20140121244-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2014-05-01 US disclosed
US-20140121243-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2014-05-01 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
WO-2013154109-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE 大日本住友製薬株式会社 (JP) 2013-10-17 WO disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 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 (6 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-20140121244-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 CYP1A2 1709/4885CYP2C19 2339/4885CYP2C9 2175/4885
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CYP1A2 2238/4885CYP2C19 2324/4885CYP2C9 2094/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 CYP1A2 2553/4885CYP2C19 2550/4885CYP2C9 2829/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CYP1A2 2523/4885CYP2C19 2455/4885CYP2C9 2702/4885
US-20140121243-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 CYP1A2 1709/4885CYP2C19 2339/4885CYP2C9 2175/4885
US-20150031681-A1 NOVEL 1-SUBSTITUTED INDAZOLE DERIVATIVE CHRNA3, CHRNB3, CHRNA7 CYP1A2 1709/4885CYP2C19 2339/4885CYP2C9 2175/4885

“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.