SCHEMBL6102018

SCHEMBL6102018

CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1OC(=O)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 8/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 4/20 0.35
HCRTR2 O43614 5/20 0.33
HCRTR1 O43613 4/20 0.33
OPRK1 P41145 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL6102022 1.00 KDM4E (0.36) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL7674148 0.90 KDM4E (0.35) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL7674145 0.90 KDM4E (0.35) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL6566910 0.90 KDM4E (0.36) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL6566914 0.90 KDM4E (0.36) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL6567869 0.90 KDM4E (0.36) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL7667547 0.89 KDM4E (0.35) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL7667546 0.89 KDM4E (0.35) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL7671349 0.89 KDM4E (0.35) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL6568867 0.88 KDM4E (0.36) KDM4ELMNASMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 US disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US 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 (1 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-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO KDM4E 1778/4885LMNA 1764/4885SMN1; SMN2 3192/4885

“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.