SCHEMBL26435742

SCHEMBL26435742

Cc1ccc2c(c1)cc(C)n2I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2A6 P11509 3/20 0.44
▸ MAPT P10636 5/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL29769204 0.80 MAPT (0.57) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL5985980 0.80 MAPT (0.57) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL18525155 0.76 SLC6A2 (0.43) CYP1A2MAPTALDH1A1KDM4ERAB9A
SCHEMBL28229284 0.74 CYP2A6 (0.44) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL27686463 0.74 CYP2A6 (0.44) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL24993679 0.74 MAPT (0.46) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL11084209 0.71 BRPF1 (0.51) MAPTRXFP1ALDH1A1KDM4ERAB9A
SCHEMBL16452868 0.71 CYP2A6 (0.41) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL9581147 0.71 KMT2A (0.47) CYP1A2CYP2A6MAPTRXFP1ALDH1A1
SCHEMBL18799928 0.70 KDM4E (0.40) CYP1A2CYP2A6MAPTRXFP1ALDH1A1

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-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 — — 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-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 CYP1A2 3133/4885CYP2A6 2579/4885MAPT 484/4885

“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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