SCHEMBL3070038

SCHEMBL3070038

O=Cc1cc(I)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL18181704 0.84 ERN1 (0.38) ERN1MCL1HCRTR1HCRTR2
SCHEMBL150019 0.82 ERN1 (0.46) ERN1MEN1LMNATHRBBLM
SCHEMBL248719 0.82 ERN1 (0.50) ERN1MEN1LMNATHRBBLM
SCHEMBL24947221 0.80 ERN1 (0.44) ERN1
Hydrochloric Acid SCHEMBL28586585 0.79 ERN1 (0.44) ERN1MEN1LMNATHRBBLM
SCHEMBL18133931 0.77 TDP1 (0.43) ERN1MCL1TDP1
SCHEMBL28880933 0.77 PRKDC (0.44) ERN1MCL1LMNA
SCHEMBL13814618 0.77 ERN1 (0.36) ERN1MCL1TDP1
SCHEMBL29911304 0.77 ERN1 (0.36) ERN1MCL1TDP1
SCHEMBL12961324 0.77 MCL1 (0.34) ERN1MCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177854-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED SPIROOXINDOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-8232401-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2012-07-31 US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2272516-A2 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor Japan Tobacco, Inc. (JP) 2011-01-12 EP disclosed
US-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100204271-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. 2010-08-12 US disclosed
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
EP-2161258-A2 4-oxoquinoline compound and use thereof as hiv integrase inhibitor Japan Tabacco Inc. (JP) 2010-03-10 EP disclosed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 US disclosed
EP-2033954-A1 6-(HETEROCYCLE-SUBSTITUTED BENZYL)-4-OXOQUINOLINE COMPOUND AND USE OF THE SAME AS HIV INTEGRASE INHIBITOR Japan Tobacco, Inc. (JP) 2009-03-11 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 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 (5 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-20100204271-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND GRIN2D, KCNQ2, RCC1 ERN1 3950/4885MCL1 2190/4885MEN1 1461/4885
US-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 ERN1 3980/4885MCL1 2075/4885MEN1 1725/4885
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ERN1 82/4885MCL1 3719/4885MEN1 4747/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ERN1 82/4885MCL1 3719/4885MEN1 4747/4885
US-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 ERN1 1745/4885MCL1 2195/4885MEN1 1245/4885

“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.