SCHEMBL23946239

SCHEMBL23946239

Cc1nncc2cccc(-c3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
MAOB P27338 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PSMB5 P28074 1/20 0.36
TGFBR1 P36897 1/20 0.36
GRM5 P41594 1/20 0.36
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL8404451 0.76 ALDH1A1 (0.38) GRM5NPC1ALDH1A1HPGDTSHR
SCHEMBL21034053 0.74 CYP2A6 (0.48) TNFPDCD1CD274PSMB5ALDH1A1
SCHEMBL18630342 0.73 KDM4E (0.32) GRM5NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23066868 0.72 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2684040 0.71 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8127130 0.71 ALDH1A1 (0.48) NPC1ALDH1A1HPGDTSHRRAB9A
SCHEMBL10962686 0.70 ALDH1A1 (0.65) TNFALDH1A1HPGDTSHRKDM4E
SCHEMBL30268605 0.70 ALDH1A1 (0.65) TNFALDH1A1HPGDTSHRKDM4E
SCHEMBL7835043 0.70 ALDH1A1 (0.46) TNFMAOBPDCD1CD274NPC1
SCHEMBL28877297 0.69 TNF (0.41) TNFGABRA1GABRG2GABRB3GABRA5

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-20210328153-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-10-21 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-20210328153-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES IDO1, IDO2, AZI2 TNF 3222/4885GABRA1 2953/4885GABRG2 3804/4885

“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.