SCHEMBL3135011

SCHEMBL3135011

O=Cc1cccc(F)c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.57
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NFE2L2 Q16236 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ IKBKB O14920 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36

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
SCHEMBL29661859 0.76 LMNA (0.50) ERN1MEN1LMNATHRBBLM
SCHEMBL6898698 0.76 LMNA (0.50) ERN1MEN1LMNATHRBBLM
SCHEMBL154794 0.76 ERN1 (0.61) ERN1MEN1LMNATHRBBLM
SCHEMBL29540911 0.75 — —
SCHEMBL30039913 0.75 — —
SCHEMBL20465749 0.75 — —
SCHEMBL87096 0.75 — —
SCHEMBL652253 0.74 ERN1 (0.59) ERN1MEN1LMNATHRBBLM
SCHEMBL577856 0.74 — —
Ammonia Solution, Strong SCHEMBL30950130 0.73 MEN1 (0.60) ERN1MEN1LMNATHRBBLM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 — — CN claimed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 — — EP disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 — — EP disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 — — US disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 — — US disclosed
CN-103582637-B Tyrosine kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2015-08-12 — — CN disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 — — US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 — — US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 — — US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 — — US disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 — — US disclosed
CN-101137641-B Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH 2010-11-24 — — CN disclosed
US-20100160632-A1 BISAMID-ZINKBASEN LUDWIG MAXIMILIANS UNIVERSITAT MUNCHEN 2010-06-24 — — US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 — — US disclosed
CN-101137641-A Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH (KR) 2008-03-05 — — CN disclosed
CN-1170804-C Ortho-substituted benzaldehyde, its preparing method and use 科莱恩有限公司 2004-10-13 — — CN disclosed
CN-1339428-A Ortho-substituted benzaldehyde, its preparing method and use CLARIANT GMBH (DE) 2002-03-13 — — CN disclosed
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 — — CN disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 — — CN disclosed
CN-1152853-A Fungicidal compositions based on 3-phenylpyrazole derivatives for treating plant propagation material, novel 3-phenylpyrazole derivatives and their fungicidal use RHONE POULENC AGROCHIMIE (FR) 1997-06-25 — — 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 (3 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 ERN1 1201/4885MEN1 332/4885LMNA 2677/4885
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 ERN1 439/4885MEN1 194/4885LMNA 1370/4885
US-20100160632-A1 BISAMID-ZINKBASEN ZFX, ZRANB2, MLX ERN1 3465/4885MEN1 1906/4885LMNA 448/4885

“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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