SCHEMBL25931657

SCHEMBL25931657

Nc1nc2ccc(Oc3ccccc3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 6/20 0.59
▸ GRIN1 Q05586 3/20 0.56
▸ GRIN2B Q13224 3/20 0.56
▸ MASP2 O00187 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ NUDT1 P36639 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ AOC3 Q16853 1/20 0.53
▸ ABL1 P00519 1/20 0.52
▸ FABP6 P51161 1/20 0.52
▸ PLAU P00749 1/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51

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
SCHEMBL5475981 0.87 KMT2A (0.53) CHEK2GRIN1GRIN2BMASP2MEN1
SCHEMBL27203397 0.81 CHEK2 (0.52) CHEK2GRIN1GRIN2BALDH1A1NPC1
SCHEMBL12909164 0.81 ALDH1A1 (0.63) CHEK2GRIN1GRIN2BMEN1ALDH1A1
SCHEMBL3245305 0.80 KDR (0.50) GRIN1GRIN2BALDH1A1ABL1FABP6
SCHEMBL7808658 0.80 GRIN1 (0.62) CHEK2GRIN1GRIN2BRAB9ACYP1A2
SCHEMBL5679297 0.79 CYP3A4 (0.56) CHEK2ALDH1A1PLAUNPC1TP53
SCHEMBL30174540 0.78 NPC1 (0.63) MEN1ALDH1A1KMT2APLAUHTR3E
SCHEMBL216242 0.78 NPC1 (0.63) MEN1ALDH1A1KMT2APLAUHTR3E
SCHEMBL24953738 0.77 KDM4E (0.60) CHEK2GRIN1GRIN2BMEN1ALDH1A1
SCHEMBL7808795 0.77 GRIN1 (0.62) CHEK2GRIN1GRIN2BMEN1KMT2A

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-20230248702-A1 MICELLE COMPRISING BENZIMIDAZOLE-CARBOHYDRATE CONJUGATE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTICANCER AGENT OR ANTIVIRAL AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC. (KP) 2023-08-10 — — 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-20230248702-A1 MICELLE COMPRISING BENZIMIDAZOLE-CARBOHYDRATE CONJUGATE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTICANCER AGENT OR ANTIVIRAL AGENT COMPRISING THE SAME RB1, CCNI, CA14 CHEK2 343/4885GRIN1 4279/4885GRIN2B 4799/4885

“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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