SCHEMBL2882458

SCHEMBL2882458

C(=C1CNCS1)c1ccc2ncn(CCCCc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
LMNA P02545 6/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
P2RX7 Q99572 2/20 0.35
BRD4 O60885 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL27683154 0.79 HTT (0.42) HTTLMNAMAPTTP53KMT2A
SCHEMBL2877339 0.78 HPGD (0.57) HPGDGAA
SCHEMBL2877338 0.78 HPGD (0.57) HPGDGAA
SCHEMBL2881408 0.76 FLT3 (0.43) HTTLMNAMAPTSMN1; SMN2TSHR
SCHEMBL2882522 0.75 CYP11B1 (0.33) HTTLMNASMN1; SMN2BRD4ALDH1A1
SCHEMBL9775011 0.68 HTT (0.74) HTTLMNAMAPTKMT2ASMN1; SMN2
SCHEMBL229982 0.67 HTT (0.81) HTTLMNAMAPTKMT2ASMN1; SMN2
SCHEMBL13993870 0.65 HTT (0.68) HTTLMNAMAPTTP53KMT2A
SCHEMBL2882113 0.64 HPGD (0.56) POLBHPGDGAA
SCHEMBL1607500 0.62 HDAC1 (0.58) HTTKMT2AHDAC1HDAC2HDAC11

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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 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-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HTT 1583/4885LMNA 3373/4885MAPT 3523/4885

“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.