SCHEMBL9901500

SCHEMBL9901500

Cc1ccc(-c2cc(Br)ccc2Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM1A O60341 2/20 0.40
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
METAP2 P50579 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TNF P01375 1/20 0.37
PTGS2 P35354 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 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
SCHEMBL9901550 0.86 CCR1 (0.56) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL9901481 0.80 CCR1 (0.48) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL10264656 0.75 CCR1 (0.56) CCR1CCR5CCR8HDAC6SMN1; SMN2
SCHEMBL1019002 0.74 MAPT (0.51) CCR1CCR5CCR8HDAC6SMN1; SMN2
SCHEMBL16656145 0.74 CCR1 (0.73) CCR1CCR5CCR8HDAC6SMN1; SMN2
SCHEMBL439072 0.73 KDM4E (0.43) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL28386149 0.72 CCR1 (0.46) CCR1CCR5CCR8SMN1; SMN2NPC1
SCHEMBL2482741 0.71 CCR1 (0.60) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL31637111 0.70 MAPT (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL15583204 0.69 CCR1 (0.42) CCR1CCR5CCR8HDAC6KDM1A

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 9 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
US-20150210669-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SIENA BIOTECH S.P.A. (IT) 2015-07-30 US disclosed
EP-2468726-B1 Compound for the treatment of tumours and tumour metastases SIENA BIOTECH SPA (IT) 2013-08-28 EP disclosed
EP-2468726-B1 Compound for the treatment of tumours and tumour metastases SIENA BIOTECH SPA (IT) 2013-08-28 EP disclosed
EP-2468726-A1 Compound for the treatment of tumours and tumour metastases Siena Biotech S.p.A. (IT) 2012-06-27 EP disclosed
EP-2468726-A1 Compound for the treatment of tumours and tumour metastases Siena Biotech S.p.A. (IT) 2012-06-27 EP disclosed
WO-2012076413-A1 COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES SIENA BIOTECH S.P.A. (IT) 2012-06-14 WO 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.