SCHEMBL5095183

SCHEMBL5095183

Cc1c[c]nn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PTGS2 P35354 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
NR1H3 Q13133 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.40
SLC9A1 P19634 1/20 0.40
GRM2 Q14416 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16347343 0.80 MEN1 (0.46) TSHRKDM4EPOLBLMNAALDH1A1
SCHEMBL15675492 0.70 SLC9A1 (0.34) TSHRKDM4EPOLBGAALMNA
SCHEMBL4365345 0.69 TSHR (0.56) TSHRKDM4EPOLBGAALMNA
SCHEMBL102010 0.69 ALDH1A1 (0.45) KDM4EPTGS2LMNAALDH1A1MEN1
SCHEMBL16347991 0.69 SLC16A3 (0.34) TSHRKDM4ELMNAALDH1A1
SCHEMBL3322508 0.68 LMNA (0.61) KDM4EPTGS2POLBGAALMNA
SCHEMBL17923448 0.67 ALDH1A1 (0.45) TSHRKDM4EPOLBGAALMNA
SCHEMBL4350390 0.67 KDM4E (0.49) TSHRKDM4EPOLBGAALMNA
SCHEMBL25212702 0.66 KDM4E (0.47) TSHRKDM4EPTGS2POLBGAA
SCHEMBL28513666 0.66 KDM4E (0.47) TSHRKDM4EPTGS2POLBGAA

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-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060142612-A1 Arylsulfonamide derivatives MERCK SHARP & DOHME CORP. 2006-06-29 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 (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-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 TSHR 1978/4885KDM4E 4035/4885PTGS2 115/4885

“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.