SCHEMBL6285541

SCHEMBL6285541

O=C(c1ccccc1)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
GPR84 Q9NQS5 2/20 0.51
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL28289122 0.90 ALDH1A1 (0.60) NR4A2MAPTPOLBGPR84TP53
SCHEMBL6706855 0.85 NR4A2 (0.56) NR4A2GPR84TP53SMN1; SMN2NPSR1
SCHEMBL16044124 0.85 NR4A2 (0.52) NR4A2GPR84TP53SMN1; SMN2GABRA1
SCHEMBL2085712 0.84 NR4A2 (0.69) NR4A2GPR84SMN1; SMN2GABRA1GABRB1
SCHEMBL4907100 0.83 KDM4E (0.54) NR4A2GPR84TP53SMN1; SMN2NPSR1
SCHEMBL22955669 0.82 F7 (0.71) NR4A2GPR84GABRA1GABRB1GABRA3
SCHEMBL28289239 0.81 ALDH1A1 (0.60) MAPTPOLBTP53SMN1; SMN2GABRA1
SCHEMBL5434549 0.80 NR4A2 (0.69) NR4A2GPR84SMN1; SMN2GABRA1GABRB1
SCHEMBL3279652 0.80 GPR84 (0.79) NR4A2GPR84TP53SMN1; SMN2NPSR1
SCHEMBL29988308 0.80 GPR84 (0.79) NR4A2GPR84TP53SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914145-B2 Acylation process PFIZER, INC. (US) 2005-07-05 US disclosed
CN-1142140-C Acylation method ������ҩ�����޹�˾ 2004-03-17 CN disclosed
EP-1088817-B1 Process for the preparation of 3-acyl-indoles PFIZER LTD (GB) 2003-02-26 EP disclosed
US-20020188138-A1 Acylation process PFIZER INC. 2002-12-12 US disclosed
US-6441192-B1 ADDING ACID CHLORIDE AND ALKYL OR ARYL MAGNESIUM HALIDE SEPARATELY AND SIMULTANEOUSLY TO A STIRRED SOLUTION OF AN INDOLE SUCH THAT THE TWO REAGENTS DO NOT COME INTO IMMEDIATE CONTACT; SYNCHRONISED RATES OF MOLAR ADDITION PFIZER INC. 2002-08-27 US disclosed
CN-1290697-A Acylation method PFIZER (US) 2001-04-11 CN disclosed
EP-1088817-A2 Process for the preparation of 3-acyl-indoles Pfizer Limited (GB) 2001-04-04 EP 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-20020188138-A1 Acylation process IDO1, IDO2, AANAT NR4A2 3114/4885MAPT 2958/4885POLB 4669/4885

“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.