SCHEMBL22555071

SCHEMBL22555071

O=C(O)Nc1ccc2c(Br)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.47
▸ NPC1 O15118 8/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL4624491 0.81 KDM4E (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28931475 0.80 F2R (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29061921 0.80 HSD17B10 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14503717 0.78 CA12 (0.49) SLC9A1NPC1RAB9AMEN1KMT2A
SCHEMBL30070953 0.78 CA12 (0.49) SLC9A1NPC1RAB9AMEN1KMT2A
SCHEMBL28931486 0.75 LMNA (0.66) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1672113 0.74 RAB9A (0.72) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL16115403 0.74 GNG2 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3106132 0.74 PTPN1 (0.66) SLC9A1MAPTMEN1KMT2ACYP1A2
SCHEMBL6916995 0.72 PTPN1 (0.64) SLC9A1MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 — — US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 — — 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SLC9A1 1418/4885NPC1 1409/4885RAB9A 157/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SLC9A1 1418/4885NPC1 1409/4885RAB9A 157/4885

“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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