SCHEMBL3562652

SCHEMBL3562652

Brc1cnnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD11B1 P28845 10/20 0.42
TSHR P16473 2/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL6600300 0.74 HSD11B1 (0.42) ALDH1A1SMN1; SMN2LMNAHTTHSD11B1
SCHEMBL1500290 0.74 TSHR (0.58) ALDH1A1SMN1; SMN2MAPTHTTHSD11B1
SCHEMBL618031 0.74 HSD11B1 (0.46) ALDH1A1HSD11B1TSHRPTGS1PTGS2
SCHEMBL322981 0.74 HSD11B1 (0.42) ALDH1A1SMN1; SMN2HSD11B1TSHRPTGS1
SCHEMBL544019 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL322982 0.74 HSD11B1 (0.42) ALDH1A1SMN1; SMN2HSD11B1TSHRPTGS1
SCHEMBL1395472 0.72 TSHR (0.70) ALDH1A1LMNAHTTTSHRPTGS1
SCHEMBL11846648 0.72 HSD11B1 (0.41) ALDH1A1SMN1; SMN2HSD11B1TSHRPTGS1
SCHEMBL3561874 0.72 RAB9A (0.46) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL9910775 0.71 HSD11B1 (0.47) ALDH1A1SMN1; SMN2NPSR1HSD11B1TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
WO-2009021083-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
EP-2010525-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-07 EP disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885SMN1; SMN2 3450/4885NPC1 383/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885SMN1; SMN2 3945/4885NPC1 3112/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885SMN1; SMN2 3945/4885NPC1 3112/4885

“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.