SCHEMBL2610399

SCHEMBL2610399

Cc1cc(C(Br)Br)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 2/20 0.50
▸ DYRK1A Q13627 1/20 0.37
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 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
SCHEMBL30490644 0.79 UHRF1 (0.52) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL84469 0.79 UHRF1 (0.52) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL4061188 0.78 UHRF1 (0.42) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL2610400 0.77 UHRF1 (0.50) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL11075725 0.77 UHRF1 (0.50) UHRF1DYRK1ACCR1CCR5CCR8
Bromide SCHEMBL14676184 0.77 UHRF1 (0.41) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL4327140 0.76 UHRF1 (0.48) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL21762132 0.76 UHRF1 (0.48) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL20508491 0.76 UHRF1 (0.48) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL17000190 0.76 UHRF1 (0.48) UHRF1DYRK1ACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 — — US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 — — 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 UHRF1 3348/4885DYRK1A 788/4885CCR1 254/4885

“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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