SCHEMBL4849499

SCHEMBL4849499

Nc1ccc(O)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 11/20 0.49
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ ALOX5 P09917 1/20 0.40
▸ CASP1 P29466 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSPD1 P10809 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KDR P35968 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
SCHEMBL15934280 0.86 TSHR (0.42) APPCA1CA2PDE10AALOX5
SCHEMBL9367414 0.83 GAA (0.40) APPCASP1ALOX15HSD17B10KDM4E
SCHEMBL8778326 0.81 MAOB (0.54) APPALOX15HSD17B10ALDH1A1CYP2C9
SCHEMBL6310104 0.81 GAA (0.39) APPCASP1ALOX15HSD17B10KDM4E
SCHEMBL714264 0.81 TSHR (0.48) APPALDH1A1CYP3A4TDP1TSHR
SCHEMBL31533760 0.81 GAA (0.39) APPCASP1ALOX15HSD17B10KDM4E
SCHEMBL734531 0.79 IDO1 (0.40) TSHRGLAPOLBGAAMAPK1
SCHEMBL2097133 0.79 APP (0.49) APPMEN1KMT2AKCNH2TMEM97
SCHEMBL14121378 0.79 APP (0.49) APPKCNH2TMEM97SIGMAR1
SCHEMBL325072 0.78 GAA (0.36) APPALOX15HSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 — — US claimed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 — — US claimed
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 — — CN claimed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 — — EP claimed
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2023-03-23 — — US disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 — — EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 — — CN disclosed
EP-3638670-B1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES Bayer Pharma AG (DE) 2021-07-21 — — EP disclosed
WO-2021013712-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2021-01-28 — — WO disclosed
WO-2021013712-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2021-01-28 — — WO disclosed
EP-3638670-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 — — EP disclosed
WO-2018228923-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES AS MAP4K1 MODULATORS FOR THE TREATMENT OF CANCER DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 — — WO disclosed
US-8604065-B2 Pyridyl cyanoguanidine derivatives Zhang, Hesheng (CN) 2013-12-10 — — US disclosed
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-12-06 — — US disclosed
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 — — US disclosed
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 — — US disclosed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 — — US disclosed
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 — — CN disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 — — 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 (4 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-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES CKMT1A; CKMT1B, TNNC1, UBQLN2 APP 2330/4885CA1 4765/4885CA2 4350/4885
US-20080139795-A1 Preparation of halogenated 4-aminophenols CYP4X1, CYP4B1, PAH APP 3217/4885CA1 4498/4885CA2 3712/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 APP 3539/4885CA1 4576/4885CA2 3410/4885
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES PNPO, XDH, PDXK APP 4105/4885CA1 3405/4885CA2 1674/4885

“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.

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