SCHEMBL6496537

SCHEMBL6496537

CC(=O)Nc1ccccc1-c1cnc(C(=O)NC2CC3CC2CN3)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ACKR3 P25106 2/20 0.34
FAAH O00519 3/20 0.33
ATR Q13535 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 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
SCHEMBL6496470 0.89 FAAH (0.36) HDAC1HDAC6MEN1MAPTALOX15
SCHEMBL6497995 0.86 HDAC1 (0.51) ALDH1A1KDM4EHDAC1HDAC6ACKR3
SCHEMBL6496644 0.85 FAAH (0.46) HDAC1HDAC6MEN1KMT2AACKR3
SCHEMBL6488113 0.84 FAAH (0.47) KDM4ESMN1; SMN2HDAC1HDAC6ACKR3
SCHEMBL6500763 0.84 HDAC1 (0.51) ALDH1A1KDM4ESMN1; SMN2HDAC1HDAC6
SCHEMBL6500689 0.84 FAAH (0.47) HDAC1HDAC6ACKR3FAAHCA12
SCHEMBL6495896 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HDAC1HDAC6
SCHEMBL7234024 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HDAC1HDAC6
SCHEMBL6495997 0.83 TUBB4A (0.45) ALDH1A1KDM4ESMN1; SMN2HDAC1HDAC6
SCHEMBL6499361 0.83 HDAC1 (0.53) ALDH1A1KDM4ESMN1; SMN2HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 ALDH1A1 625/4885KDM4E 2799/4885SMN1; SMN2 1751/4885

“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.