SCHEMBL9901481

SCHEMBL9901481

Cc1ccc(-c2cc(N)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
PLA2G7 Q13093 1/20 0.44
KDM1A O60341 4/20 0.43
SMO Q99835 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CYP2A6 P11509 1/20 0.37
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL439072 0.87 KDM4E (0.43) CCR1CCR5CCR8HDAC6PLA2G7
SCHEMBL9901550 0.86 CCR1 (0.56) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL1923831 0.83 CCR1 (0.52) CCR1CCR5CCR8HDAC6PLA2G7
SCHEMBL2941856 0.83 CCR1 (0.52) CCR1CCR5CCR8HDAC6KDM1A
Hydrochloric Acid SCHEMBL7086070 0.81 CCR1 (0.50) CCR1CCR5CCR8HDAC6KDM1A
Hydrochloric Acid SCHEMBL7086437 0.81 CCR1 (0.50) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL25391149 0.80 KDM1A (0.43) PLA2G7KDM1ASMOCYP3A4TSHR
SCHEMBL9901500 0.80 CCR1 (0.48) CCR1CCR5CCR8HDAC6KDM1A
SCHEMBL5687980 0.78 CCR1 (0.50) CCR1CCR5CCR8HDAC6KDM1A
Hydrochloric Acid SCHEMBL5685617 0.77 CCR1 (0.48) 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.