SCHEMBL2825510

SCHEMBL2825510

Nc1c2nc(cc3ccc(cc4nc(cc5[nH]c1c1ccccc51)C=C4)[nH]3)C=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ KIF11 P52732 2/20 0.33
▸ CA5A P35218 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HTR5A P47898 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRB1 P18505 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
SCHEMBL27307 0.81 AHR (0.47) STAT3STAT1KIF11AHRKDM4E
SCHEMBL13504831 0.80 STAT3 (0.42) STAT3STAT1KDM4EMEN1GABRP
SCHEMBL2749736 0.79 AHR (0.45) STAT3STAT1KIF11AHRKDM4E
SCHEMBL6417535 0.79 STAT3 (0.39) STAT3STAT1KDM4EGABRPGABRD
SCHEMBL310134 0.78 STAT3 (0.50) STAT3STAT1
Carbazole SCHEMBL27848555 0.76 ALDH1A1 (0.52) STAT3STAT1KIF11AHRKDM4E
Triphenylene SCHEMBL28084435 0.75 STAT3 (0.44) STAT3STAT1AHRKDM4EMEN1
Carbazole SCHEMBL27824098 0.75 ALDH1A1 (0.50) STAT3STAT1KIF11AHRKDM4E
Carbazole SCHEMBL28879059 0.75 ALDH1A1 (0.50) STAT3STAT1KIF11AHRKDM4E
Carbamic Acid SCHEMBL6411899 0.74 KDM4E (0.42) STAT3STAT1KIF11AHRHTR2B

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-20100247447-A1 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS BAUSCH HEALTH COMPANIES INC. (CA) 2010-09-30 — — 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-20100247447-A1 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS LIPA, MLEC, ABCG2 STAT3 3700/4885STAT1 4562/4885KIF11 493/4885

“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.

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