SCHEMBL3318218

SCHEMBL3318218

C[CH]Cn1c2c(c3cc(Cl)ccc31)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
ACLY P53396 1/20 0.45
HTR6 P50406 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
SCARB1 Q8WTV0 2/20 0.44
BAZ2B Q9UIF8 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3319817 0.89 CA1 (0.44) PTGS1PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL7464584 0.78 CA1 (0.67) PTGS1PTGS2LMNAHTR6CA1
SCHEMBL1873708 0.76 PTGS1 (0.65) PTGS1PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL3317673 0.75 CA1 (0.41) PTGS1PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL27568575 0.75 PTGDR2 (0.69) KDM4EALDH1A1ACLYBAZ2BPTGDR2
SCHEMBL16638434 0.71 PTGS1 (0.44) PTGS1PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL16638418 0.70 KMT2A (0.47) PTGS1PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL2187186 0.70 HDAC1 (0.57) ALDH1A1HTR6BAZ2BHDAC1HDAC6
SCHEMBL31554283 0.70 FABP4 (0.59) PTGS1PTGS2
SCHEMBL13677430 0.69 HTR6 (0.51) PTGS1PTGS2HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 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 (3 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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 PTGS1 1463/4885PTGS2 1192/4885HSD17B10 2261/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 PTGS1 1426/4885PTGS2 1393/4885HSD17B10 2283/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 PTGS1 1426/4885PTGS2 1393/4885HSD17B10 2283/4885

“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.