SCHEMBL1979654

SCHEMBL1979654

CCCOC(=O)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.60
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
KDR P35968 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH3 Q9Y5N1 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 4/20 0.50
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL347958 0.89 CHKA (0.62) CHKAHDAC6TSHRHRH3RAB9A
SCHEMBL4633541 0.85 CHKA (0.58) CHKAHDAC6ALDH1A1TSHRHRH3
SCHEMBL6650843 0.84 CHKA (0.61) CHKAHDAC6ALDH1A1TSHRHRH3
SCHEMBL10174732 0.83 HRH3 (0.64) CHKAALDH1A1HRH3HPGDDRD3
SCHEMBL4367804 0.82 CHKA (0.82) CHKAHDAC6ALDH1A1HRH3HPGD
SCHEMBL64588 0.82 CHKA (0.82) CHKAHDAC6ALDH1A1HRH3HPGD
SCHEMBL14153328 0.82 CHKA (0.58) CHKAHDAC6ALDH1A1TSHRHRH3
SCHEMBL25509878 0.81 CHKA (0.64) CHKAHDAC6ALDH1A1TSHRHRH3
SCHEMBL10074444 0.81 CHKA (0.57) CHKAHDAC6ALDH1A1HRH3RAB9A
SCHEMBL14689861 0.81 NPC1 (0.61) CHKAHDAC6ALDH1A1SLC6A2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609842-B2 Method for synthesizing Imatinib FUJIAN SOUTH PHARMACEUTICAL CO., LTD. (CN) 2013-12-17 US disclosed
US-20130041149-A1 New Method for Synthesizing Imatinib FUJIAN SOUTH PHARMACEUTICAL CO., LTD. (CN) 2013-02-14 US disclosed
EP-2509973-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF Arch Pharmalabs Limited (IN) 2012-10-17 EP disclosed
US-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF SHANGHAI PARLING PHARMATECH CO., LTD. (CN) 2011-12-15 US disclosed
WO-2011070588-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2011-06-16 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 (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-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ABL1, JAK2, ABL2 CHKA 3017/4885HDAC6 1828/4885ALDH1A1 436/4885
US-20130041149-A1 New Method for Synthesizing Imatinib ABL1, ALK, PDGFRA CHKA 1718/4885HDAC6 1360/4885ALDH1A1 220/4885

“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.