SCHEMBL30578099

SCHEMBL30578099

Clc1nc2ccccc2n2ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
TYMS P04818 1/20 0.45
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAD51 Q06609 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL120846 1.00 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL31377522 0.81 MAPK8 (0.40) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL8102963 0.80 CUL4A (0.51) MAPK8PTPN1SMN1; SMN2HPGDKDM4E
SCHEMBL169235 0.79 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL31746758 0.79 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL13131265 0.79 PTPN2 (0.59) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11418210 0.79 KDM4E (0.49) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL24832295 0.78 IKBKB (0.45) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL3496046 0.78 HTR3E (0.40) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL30973203 0.78 IKBKB (0.45) MAPK8HTR3EHTR3BHTR3AHTR3D

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-20240110188-A1 PREVENTION AND/OR TREATMENT OF INFLAMMATORY SKIN DISEASE CONOPCO, INC., D/B/A UNILEVER 2024-04-04 US claimed

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-20240110188-A1 PREVENTION AND/OR TREATMENT OF INFLAMMATORY SKIN DISEASE CPA3, TPSAB1, CMA1 MAPK8 2300/4885HTR3E 1613/4885HTR3B 2169/4885

“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.