SCHEMBL21030427

SCHEMBL21030427

Cc1ncnn1-c1ccc(C(C)C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
BRD4 O60885 1/20 0.35
PTGS1 P23219 2/20 0.35
CHRM1 P11229 1/20 0.35
PDE2A O00408 1/20 0.34
CNR1 P21554 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL19814656 0.79 MAPT (0.44) ALDH1A1LMNASMN1; SMN2MALT1BRD4
SCHEMBL21031071 0.78 KDM4E (0.35) ALDH1A1SMN1; SMN2NPBWR1MCHR1
SCHEMBL21031072 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12693219 0.75 P2RX7 (0.48) ALDH1A1LMNASMN1; SMN2
SCHEMBL23032429 0.73 PTGS1 (0.38) ALDH1A1LMNAPTGS1CHRM1NPBWR1
SCHEMBL21030429 0.71 MALT1 (0.34) LMNAMALT1PTGS1CHRM1CNR1
SCHEMBL21030489 0.69 POLB (0.44) ALDH1A1LMNAPTGS1CHRM1MAPK1
SCHEMBL10618919 0.68 KMT2A (0.46) ALDH1A1LMNANPBWR1MCHR1
SCHEMBL11215855 0.67 ALDH1A1 (0.56) ALDH1A1LMNAPTGS1CHRM1MAPK1
SCHEMBL2739324 0.67 CHRM1 (0.68) ALDH1A1LMNASMN1; SMN2PTGS1CHRM1

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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO ALDH1A1 1217/4885LMNA 4835/4885SMN1; SMN2 3517/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO ALDH1A1 1217/4885LMNA 4835/4885SMN1; SMN2 3517/4885

“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.