SCHEMBL1998966

SCHEMBL1998966

COc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.51
HRH4 Q9H3N8 4/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G10 O15496 1/20 0.47
DNMT1 P26358 1/20 0.46
RAD52 P43351 1/20 0.46
KDM1A O60341 1/20 0.45
HTR3A P46098 2/20 0.45
KMT5A Q9NQR1 1/20 0.45
MCHR1 Q99705 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR6 P50406 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SLC2A1 P11166 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1994327 0.86 HRH4 (0.54) EHMT1HRH4ALDH1A1POLBSMN1; SMN2
SCHEMBL1993409 0.85 HRH4 (0.50) HRH4ALDH1A1KMT2AHTR3AMAPT
SCHEMBL1991112 0.84 HRH4 (0.65) HRH4ALDH1A1HTR3AKDM4E
SCHEMBL1990158 0.84 HRH4 (0.49) HRH4HTR3AMCHR1MAPTKDM4E
SCHEMBL1993681 0.82 HRH4 (0.61) HRH4ALDH1A1HTR3AKDM4EHTT
SCHEMBL1993947 0.78 PRKCB (0.45) HRH4ALDH1A1HTR3AKDM4EHTR6
SCHEMBL1995226 0.76 LATS1 (0.45) HRH4ALDH1A1HTR3AKDM4EHTR6
SCHEMBL1990553 0.76 ADRA1A (0.45) HRH4ALDH1A1POLBSMN1; SMN2HTR3A
SCHEMBL1991360 0.75 HRH4 (0.51) HRH4ALDH1A1HTR3AMCHR1MAPT
SCHEMBL1995864 0.75 PIK3R1 (0.43) HRH4ALDH1A1HTR3AKDM4EHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO EHMT1 3018/4885HRH4 249/4885ALDH1A1 297/4885

“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.