SCHEMBL22700002

SCHEMBL22700002

O=c1c(Nc2cccnc2Oc2ccccc2F)c(Nc2c[nH]c3ccccc23)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2C P28335 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL25120884 0.84 MAPT (0.40) MAPTNPC1RAB9AHTR1ASLC6A2
SCHEMBL394824 0.79 CFTR (0.55) MAPTNPC1RAB9ASLC6A2HTR2C
SCHEMBL22700001 0.72 STING1 (0.42) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL395109 0.72 MAPT (0.56) MAPTNPC1SLC6A2HTR2CMEN1
SCHEMBL22690132 0.68 NR4A2 (0.43) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25120758 0.68 STING1 (0.43) MAPTHTR1ASLC6A2SLC6A4HTR2C
SCHEMBL22700047 0.68 CD38 (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL25120800 0.68 CCR6 (0.41) SLC6A2KMT2ASTING1
SCHEMBL22700056 0.68 STING1 (0.41) MAPTMEN1KMT2ASTING1ALDH1A1
SCHEMBL22828633 0.67 STING1 (0.60) STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020236586-A1 N-HETARYL-SQUARAMIDE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-11-26 WO 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 MAPT 3503/4885NPC1 249/4885RAB9A 1457/4885

“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.