SCHEMBL9901550

SCHEMBL9901550

Cc1ccc(-c2cc(C)ccc2Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.56
CCR5 P51681 2/20 0.56
CCR8 P51685 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SMO Q99835 1/20 0.42
DHODH Q02127 2/20 0.42
METAP2 P50579 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM1A O60341 3/20 0.40
PTGS2 P35354 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9901500 0.86 CCR1 (0.48) CCR1CCR5CCR8HDAC6SMO
SCHEMBL439072 0.86 KDM4E (0.43) CCR1CCR5CCR8HDAC6SMO
SCHEMBL9901481 0.86 CCR1 (0.48) CCR1CCR5CCR8HDAC6SMO
SCHEMBL10264656 0.81 CCR1 (0.56) CCR1CCR5CCR8HDAC6DHODH
SCHEMBL24066438 0.80 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL1019002 0.80 MAPT (0.51) CCR1CCR5CCR8HDAC6NPC1
SCHEMBL12164875 0.78 KDM4E (0.46) CCR1CCR5CCR8SMOMETAP2
SCHEMBL15424072 0.76 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL18814932 0.76 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL11623295 0.76 MAOB (0.52) NPC1RAB9ATP53NFKB1NFKB2

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-20150210669-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SIENA BIOTECH S.P.A. (IT) 2015-07-30 US disclosed
US-20150210669-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SIENA BIOTECH S.P.A. (IT) 2015-07-30 US disclosed
WO-2012076413-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SIENA BIOTECH S.P.A. (IT) 2012-06-14 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 (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-20150210669-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SMO, SHH, GLI1 CCR1 834/4885CCR5 646/4885CCR8 1005/4885

“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.