SCHEMBL4285984

SCHEMBL4285984

COC(=O)c1c(Br)cc2c(c1Br)n(CCC(C)C)c(=O)n2CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
CNR2 P34972 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PABPC1 P11940 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
ADRA2A P08913 1/20 0.32
HTT P42858 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31

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
SCHEMBL4282176 0.71 CNR2 (0.50) SMN1; SMN2ALDH1A1TSHRKMT2AMAPT
SCHEMBL11807935 0.65 HSD17B10 (0.32) ALDH1A1
SCHEMBL14802479 0.62 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TSHRNPSR1ADRA2A
SCHEMBL8378635 0.60 SOS1 (0.43) ALDH1A1TSHRKMT2AMAPTHPGD
SCHEMBL24885601 0.59 KMT2A (0.52) SMN1; SMN2ALDH1A1KMT2AHPGDGAA
SCHEMBL24885160 0.59 KDM4E (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11735743 0.59 MAT2A (0.31) KMT2A
SCHEMBL24685166 0.58 KDM4E (0.39) SMN1; SMN2ALDH1A1TSHRKMT2AMAPT
SCHEMBL7737835 0.58 CYP3A4 (0.55) HPGDGAA
SCHEMBL5561626 0.58 CA1 (0.54) ALDH1A1TSHRMAPTCNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 SMN1; SMN2 2947/4885ALDH1A1 2031/4885TSHR 4233/4885

“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.