SCHEMBL6503195

SCHEMBL6503195

COC(=O)CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
NPC1 O15118 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.49
ABL1 P00519 1/20 0.49
TP53 P04637 1/20 0.49
RIN1 Q13671 1/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 1/20 0.48
GRM5 P41594 1/20 0.46

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
Hydrochloric Acid SCHEMBL6503249 0.99 TSHR (0.53) TSHRNPC1ALOX15ALDH1A1LMNA
SCHEMBL1381849 0.89 ALDH1A1 (0.57) TSHRNPC1ALOX15ALDH1A1LMNA
SCHEMBL5763601 0.85 ALDH1A1 (0.54) TSHRNPC1ALOX15ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6494890 0.84 ALDH1A1 (0.53) TSHRNPC1ALOX15ALDH1A1LMNA
SCHEMBL5760134 0.77 LMNA (0.46) TSHRNPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL5760591 0.76 USP2 (0.47) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL6495850 0.76 ALDH1A1 (0.66) TSHRNPC1ALOX15ALDH1A1LMNA
SCHEMBL6494998 0.76 DRD2 (0.45) NPC1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4355717 0.75 HTR1A (0.68) LMNAHTR1AHTR7
SCHEMBL6502353 0.74 NOTUM (0.44) TSHRALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO claimed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US claimed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 US claimed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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 (3 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC TSHR 3838/4885NPC1 1273/4885ALOX15 777/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TSHR 2198/4885NPC1 2349/4885ALOX15 4225/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TSHR 2198/4885NPC1 2349/4885ALOX15 4225/4885

“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.