SCHEMBL9968574

SCHEMBL9968574

COc1ccc(-c2cc(-c3ccc(C)cn3)c(F)cc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTGS2 P35354 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
DHODH Q02127 3/20 0.41
CYP11B1 P15538 1/20 0.40
METAP2 P50579 1/20 0.38
TNKS O95271 1/20 0.38
ACHE P22303 1/20 0.37
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL9971214 0.92 KDM1A (0.51) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL13985937 0.87 CCR1 (0.58) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL18848889 0.86 NPC1 (0.47) KDM1APTGS2NPC1RAB9ADHODH
SCHEMBL9327097 0.86 NPC1 (0.50) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL16656143 0.82 CCR1 (0.67) CCR1CCR5CCR8HDAC6NPC1
SCHEMBL29463693 0.78 NPC1 (0.48) KDM1ANPC1RAB9ADHODHCYP11B1
SCHEMBL22443378 0.78 NPC1 (0.48) KDM1ANPC1RAB9ADHODHCYP11B1
SCHEMBL23667869 0.76 CCR1 (0.48) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL9326495 0.75 HDAC6 (0.56) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL9402686 0.75 DHODH (0.48) CCR1CCR5CCR8HDAC6PTGS2

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-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO KDM1A 2783/4885CCR1 774/4885CCR5 2749/4885

“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.