SCHEMBL27411457

SCHEMBL27411457

Cc1ccc(Cn2c(Br)nc3c2c(=O)n(CCCO)c(=O)n3C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 5/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LMNA P02545 7/20 0.57
▸ TRPC5 Q9UL62 3/20 0.56
▸ TRPC4 Q9UBN4 2/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TP53 P04637 1/20 0.50
▸ TRPC1 P48995 1/20 0.49
▸ PLD3 Q8IV08 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ BRAF P15056 1/20 0.48
▸ PIK3CG P48736 1/20 0.48

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
SCHEMBL16027839 0.91 TRPC5 (0.67) ALDH1A1TSHRKDM4EPOLBRAB9A
SCHEMBL16028038 0.90 RAB9A (0.57) ALDH1A1TSHRKDM4EPOLBRAB9A
SCHEMBL16363982 0.85 TRPC5 (0.55) ALDH1A1TSHRLMNATRPC5TRPC4
SCHEMBL16364033 0.84 TSHR (0.69) ALDH1A1TSHRKDM4EPOLBRAB9A
SCHEMBL20432444 0.84 TRPC5 (0.52) ALDH1A1TSHRPOLBRAB9ALMNA
SCHEMBL18833614 0.83 SMN1; SMN2 (0.63) ALDH1A1TSHRKDM4EPOLBLMNA
SCHEMBL16028099 0.82 PCSK9 (0.52) ALDH1A1TSHRLMNATRPC5TRPC4
SCHEMBL16028970 0.82 BRAF (0.56) ALDH1A1TSHRKDM4EPOLBRAB9A
SCHEMBL18833810 0.81 TRPC5 (0.65) ALDH1A1TSHRPOLBRAB9ALMNA
SCHEMBL16076165 0.81 TSHR (0.68) ALDH1A1TSHRKDM4EPOLBRAB9A

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-20240208976-A1 PROCESS FOR THE PREPARATION OF 7-(4-CHLOROBENZYL)-1-(3-HYDROXYPROPYL)-3-METHYL-8-(3-(TRIFLUOROMETHOXY)-PHENOXY)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 — — 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-20240208976-A1 PROCESS FOR THE PREPARATION OF 7-(4-CHLOROBENZYL)-1-(3-HYDROXYPROPYL)-3-METHYL-8-(3-(TRIFLUOROMETHOXY)-PHENOXY)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE DPYD, P2RX7, DHPS ALDH1A1 497/4885TSHR 3827/4885KDM4E 1341/4885

“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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