SCHEMBL100826

SCHEMBL100826

CCNC(=O)c1cc(Br)cc(C(=O)NCC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
BRD4 O60885 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
SLC6A19 Q695T7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL10383270 0.79 ALOX15 (0.55) CNR1BRD4MEN1KMT2ARAB9A
SCHEMBL13621555 0.78 KMT2A (0.39) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7431411 0.78 KDM4E (0.48) CYP2C19MEN1CYP1A2KMT2AALDH1A1
SCHEMBL19661316 0.76 LMNA (0.56) CNR1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22050890 0.74 HPGD (0.41) CNR1BRD4CYP2C19RAB9ANPC1
SCHEMBL15656802 0.74 CNR1 (0.43) CNR1CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL178236 0.74 ACP1 (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL17837381 0.73 BRD4 (0.45) CNR1BRD4CYP2C19MEN1KMT2A
SCHEMBL285908 0.73 KDM4E (0.55) CNR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL1037003 0.73 ALDH1A1 (0.65) CNR1BRD4CYP2C19MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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 (2 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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR CNR1 1348/4885BRD4 2485/4885CYP2C19 1457/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR CNR1 1130/4885BRD4 2734/4885CYP2C19 918/4885

“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.