SCHEMBL5878745

SCHEMBL5878745

CCCCCC1C=Cc2c(N)nn(S(=O)(=O)c3ccc(C)cc3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.39
MEN1 O00255 7/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC9A1 P19634 1/20 0.33
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5878654 0.85 CRHBP (0.39) KMT2AMEN1ALDH1A1KDM4ECRHBP
Hydrochloric Acid SCHEMBL5878572 0.84 CRHBP (0.39) KMT2AMEN1ALDH1A1KDM4ECRHBP
SCHEMBL5878333 0.78 CRHBP (0.34) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5876072 0.76 NPSR1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5875992 0.65 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL28466754 0.63 ALDH1A1 (0.44) KMT2AALDH1A1LMNACRHBPCRHR2
SCHEMBL8472978 0.63 ALDH1A1 (0.44) KMT2AALDH1A1LMNACRHBPCRHR2
SCHEMBL6081707 0.63 ALDH1A1 (0.44) KMT2AALDH1A1LMNACRHBPCRHR2
SCHEMBL5876820 0.63 KMT2A (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5876548 0.63 MAPT (0.50) KMT2AMEN1MAPTALDH1A1LMNA

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT KMT2A 2326/4885MEN1 548/4885MAPT 1879/4885

“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.