SCHEMBL5223350

SCHEMBL5223350

CCC(C)c1ccccc1N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ATM Q13315 1/20 0.41
NISCH Q9Y2I1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
NSD2 O96028 1/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL13817607 0.81 TSHR (0.44) TSHRATMNISCHKDM4EMAPT
SCHEMBL19480373 0.81 TSHR (0.44) TSHRATMKDM4EMAPTGAA
SCHEMBL5809269 0.80 TSHR (0.52) TSHRATMNISCHKDM4EMAPT
SCHEMBL24934080 0.80 TSHR (0.47) TSHRATMNISCHKDM4EL3MBTL1
SCHEMBL994607 0.79 TSHR (0.73) TSHRATMNISCHKDM4EL3MBTL1
SCHEMBL6055171 0.79 LMNA (0.48) TSHRKDM4EMAPTALDH1A1GAA
SCHEMBL25053616 0.79 MAPT (0.36) TSHRNISCHKDM4EMAPTALDH1A1
SCHEMBL204643 0.78 TSHR (0.50) TSHRATMKDM4EALDH1A1L3MBTL1
SCHEMBL3893551 0.78 MAPT (0.41) TSHRKDM4EMAPTALDH1A1GAA
SCHEMBL5227537 0.78 GABRA1 (0.46) TSHRNISCHKDM4EMAPTALDH1A1

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
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20070287086-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SONY CORPORATION (JP) 2007-12-13 US disclosed
US-20070287087-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-12-13 US disclosed
EP-1860502-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system Sumitomo Chemical Company, Limited (JP) 2007-11-28 EP disclosed
EP-1860503-A2 Colored photosensitive resin composition, color filter, image sensor, and camera system Sumitomo Chemical Company, Limited (JP) 2007-11-28 EP 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-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2724/4885ATM 3303/4885NISCH 3310/4885

“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.