SCHEMBL3980271

SCHEMBL3980271

C#CCNC(=O)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL14546677 0.91 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL3978178 0.90 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL3980049 0.90 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL3977034 0.90 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3978035 0.90 ALDH1A1 (0.59) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3976664 0.90 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3985260 0.89 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL3979182 0.89 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNACYP2C9
SCHEMBL3976792 0.88 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL13842387 0.87 HTT (0.72) HTTSMN1; SMN2ALDH1A1LMNACYP1A2

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
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 HTT 2677/4885SMN1; SMN2 3215/4885ALDH1A1 435/4885

“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.