SCHEMBL4385656

SCHEMBL4385656

COc1c(Br)cc2c(c1Br)c(CCN)c(Br)n2C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TSHR P16473 2/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
IMPDH2 P12268 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
TPMT P51580 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
SCHEMBL4389660 0.85 MTNR1A (0.42) HSD17B10
SCHEMBL4397542 0.79 MTNR1A (0.40) TAAR1HTR2AHTR2CTSHRCYP1A2
SCHEMBL4393646 0.77 TAAR1 (0.47) TAAR1HTR2AHTR2CALDH1A1TSHR
SCHEMBL4391870 0.72 ADRB2 (0.49) TSHRCYP1A2
SCHEMBL1309245 0.67 MTNR1A (0.39) HTR2CHSD17B10
SCHEMBL1311121 0.66 MTNR1A (0.38) CA2CA4CA1CA6TAAR1
SCHEMBL5428544 0.66 MTNR1A (0.38) ALDH1A1TSHRHSD17B10
SCHEMBL9418449 0.62 MTNR1A (0.55) TSHRCYP1A2
SCHEMBL16622180 0.60 POLB (0.47) CA2CA4CA1CA6ALDH1A1
SCHEMBL4392668 0.59 MTNR1A (0.40) TAAR1HTR2AHTR2CTSHRCYP1A2

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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B CA2 914/4885CA4 3434/4885CA1 4584/4885
US-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 CA2 332/4885CA4 1052/4885CA1 789/4885

“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.