SCHEMBL3755897

SCHEMBL3755897

OCC(O)(c1ccccc1-c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1)c1ccccc1-c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
ADORA2A P29274 1/20 0.31
RIPK2 O43353 1/20 0.31
RIPK1 Q13546 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3004154 0.83 IDO1 (0.34) ADORA1PIM1PIM2RIPK1TP53
SCHEMBL3748032 0.82 CHEK1 (0.37) ADORA1ADORA2ARIPK1
SCHEMBL3755895 0.80 ADORA1 (0.34) ADORA1PIM1PIM2RIPK2RIPK1
SCHEMBL2999756 0.78 IDO1 (0.42) ADORA1PIM1PIM2
SCHEMBL3005194 0.77 ADORA1 (0.45) ADORA1ADORA2ARIPK1MAPT
SCHEMBL3007638 0.76 ADORA1 (0.46) ADORA1ADORA2ARIPK1MAPT
SCHEMBL3003687 0.76 RIPK1 (0.44) RIPK1
SCHEMBL3007636 0.75 RIPK1 (0.40) ADORA1ADORA2ARIPK1
SCHEMBL2999160 0.74 CSF1R (0.36) ADORA1ADORA2AMAPT
SCHEMBL16525679 0.72 TDO2 (0.36) ADORA2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 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 (2 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ADORA1 293/4885PIM1 208/4885PIM2 456/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ADORA1 293/4885PIM1 208/4885PIM2 456/4885

“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.