SCHEMBL6708205

SCHEMBL6708205

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OCC3CCCCO3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
HPGD P15428 2/20 0.33
GRM4 Q14833 2/20 0.33
PTK2 Q05397 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL6710444 0.92 PTGER1 (0.40) MAPTSMN1; SMN2RAB9AIRAK4HPGD
SCHEMBL6708943 0.91 MAPT (0.36) MAPTSMN1; SMN2RAB9AIRAK4HPGD
SCHEMBL6713385 0.89 PTGER1 (0.38) MAPTIRAK4LMNAGRM5PTGER1
SCHEMBL6713780 0.89 KDM1A (0.36) MAPTIRAK4LMNAGRM5HSD17B10
SCHEMBL6708000 0.89 KDM1A (0.37) MAPTIRAK4LMNAPOLBHSD17B10
SCHEMBL6711633 0.88 ALDH1A1 (0.35) MAPTSMN1; SMN2RAB9AIRAK4HPGD
SCHEMBL6713771 0.86 MAPK14 (0.34) MAPTLMNAPOLBHSD17B10CYP3A4
SCHEMBL6710548 0.85 GAA (0.36) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL6711753 0.84 HPGD (0.41) SMN1; SMN2RAB9AHPGDNPC1LMNA
SCHEMBL6710598 0.83 MAPT (0.36) MAPTSMN1; SMN2RAB9ANPC1LMNA

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MAPT 4754/4885SMN1; SMN2 2635/4885RAB9A 3732/4885

“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.