SCHEMBL3574114

SCHEMBL3574114

O=c1nn[nH]n1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 1/20 0.34
HCAR1 Q9BXC0 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 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
SCHEMBL9557288 0.77 ALDH1A1 (0.47) ALKBH5FAAHMGLLGABRA1GABRG2
SCHEMBL18865500 0.64 ALKBH5 (0.50) ALKBH5FAAHMGLLGABRA1GABRG2
SCHEMBL5906174 0.61 NPC1 (0.42) ALKBH5FAAHMGLLPOLBHPGD
SCHEMBL4142034 0.60 MPI (0.76) ALKBH5GABRA1GABRG2GABRB3GABRA5
SCHEMBL11363821 0.60 GSK3A (0.60) ALKBH5FAAHMGLLPOLBHPGD
SCHEMBL20945141 0.59 TSHR (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6521597 0.59 ALKBH5 (0.57) ALKBH5POLBHPGDNPSR1HSD17B10
SCHEMBL6245696 0.59 CRBN (0.46) FAAHMGLLPOLBHPGDNPSR1
SCHEMBL792758 0.59 HTT (0.50) ALKBH5FAAHMGLLPOLBHPGD
SCHEMBL18883104 0.58 ALDH1A1 (0.42) ALKBH5FAAHMGLLGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 ALKBH5 3704/4885FAAH 2354/4885MGLL 4489/4885

“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.