SCHEMBL773102

SCHEMBL773102

NC[C@@H](O)COc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PNMT P11086 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.36
CACNA1G O43497 5/20 0.36
KCNH2 Q12809 4/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL768317 0.83 KMT2A (0.49) ALOX15NR2E1PNMTSMN1; SMN2KMT2A
SCHEMBL768316 0.83 KMT2A (0.49) ALOX15NR2E1PNMTSMN1; SMN2KMT2A
SCHEMBL768296 0.81 ALOX15 (0.48) ALOX15NR2E1SMN1; SMN2KMT2ATSHR
SCHEMBL768295 0.81 ALOX15 (0.48) ALOX15NR2E1SMN1; SMN2KMT2ATSHR
SCHEMBL6259859 0.75 CACNA1G (0.53) SMN1; SMN2KMT2ACACNA1GKCNH2GAA
SCHEMBL22366926 0.74 L3MBTL1 (0.38) GAAMAPTNPSR1ATMPPARD
SCHEMBL29967539 0.74 L3MBTL1 (0.38) GAAMAPTNPSR1ATMPPARD
SCHEMBL23648160 0.74 SLC6A4 (0.45) KMT2AHTT
SCHEMBL768676 0.74 ALOX15 (0.43) ALOX15NR2E1SMN1; SMN2KMT2ATSHR
SCHEMBL18608433 0.74 L3MBTL1 (0.38) KMT2AKCNH2MAPTHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 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 (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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885PNMT 3058/4885

“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.