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Sugi Predict / Compounds / SCHEMBL22845500

SCHEMBL22845500

SCHEMBL22845500

CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 1/20 0.35
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ITGB2 P05107 3/20 0.31
▸ ICAM1 P05362 3/20 0.31
▸ ITGAL P20701 3/20 0.31
▸ MBTD1 Q05BQ5 1/20 0.31
▸ L3MBTL3 Q96JM7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL24483838 0.93 HDAC1 (0.35) MTHFD2HDAC1HDAC10HDAC8HDAC6
SCHEMBL22845291 0.91 ALDH1A1 (0.35) HDAC1HDAC10HDAC8HDAC6P2RX7
SCHEMBL22830614 0.91 PRKAA2 (0.34) HDAC1HDAC10HDAC8HDAC6MAPT
SCHEMBL24173421 0.90 ALDH1A1 (0.36) MTHFD2P2RX7MAPTTP53LMNA
SCHEMBL26842658 0.89 MAPT (0.35) MTHFD2P2RX7MAPTTP53LMNA
SCHEMBL22845445 0.89 MAPT (0.35) HDAC1HDAC10HDAC8HDAC6P2RX7
SCHEMBL22845380 0.88 MAPT (0.35) HDAC1HDAC10HDAC8HDAC6MAPT
SCHEMBL22845425 0.88 MTHFD2 (0.33) MTHFD2P2RX7MAPTTP53LMNA
SCHEMBL22830558 0.87 HDAC1 (0.31) HDAC1LMNAALDH1A1BRD4
SCHEMBL26842631 0.87 AR (0.32) MAPTTP53LMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 — — US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 — — US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 — — 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 (4 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MTHFD2 2383/4885HDAC1 47/4885HDAC10 74/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL MTHFD2 2383/4885HDAC1 47/4885HDAC10 74/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL MTHFD2 2383/4885HDAC1 47/4885HDAC10 74/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MTHFD2 2383/4885HDAC1 47/4885HDAC10 74/4885

“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.