SCHEMBL6418208

SCHEMBL6418208

O=C(c1[nH]nc2ccccc12)N1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 5/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
USP2 O75604 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TACR3 P29371 1/20 0.53
GFER P55789 2/20 0.52
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
FLT3 P36888 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.49
SLC6A7 Q99884 1/20 0.49
MGLL Q99685 2/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL6417259 0.87 MAPT (0.48) ALDH1A1TSHRLMNAHPGDUSP2
SCHEMBL6414178 0.85 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL4932700 0.74 MGLL (0.64) ALDH1A1TSHRLMNAHPGDMEN1
SCHEMBL27306048 0.73 ALDH1A1 (0.61) ALDH1A1TSHRLMNAHPGDUSP2
SCHEMBL3405867 0.72 CYP1A2 (0.48) ALDH1A1LMNAHPGDMAPTMAPK1
SCHEMBL24095111 0.72 MAPT (0.55) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL20812479 0.72 FLT3 (0.46) ALDH1A1TSHRUSP2MEN1KMT2A
SCHEMBL10721777 0.71 MEN1 (0.87) ALDH1A1TSHRLMNAUSP2MEN1
SCHEMBL10724385 0.71 ALDH1A1 (1.00) ALDH1A1TSHRLMNAUSP2MEN1
SCHEMBL8595777 0.71 POLB (0.87) ALDH1A1TSHRLMNAUSP2MEN1

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US claimed

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885TSHR 4236/4885LMNA 2233/4885

“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.